SCHEMBL5617799

SCHEMBL5617799

O=Cc1ccc2ccc3ccccc3c2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ CYP1B1 Q16678 1/20 0.56
▸ KIF11 P52732 2/20 0.53
▸ CYP2A6 P11509 3/20 0.52
▸ TSHR P16473 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ HPRT1 P00492 1/20 0.48
▸ ERN1 O75460 1/20 0.47
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ PAX8 Q06710 1/20 0.45
▸ CYP1A2 P05177 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30811866 0.96 HPRT1 (0.56) ALDH1A1HSD17B10HIF1ACYP1B1KIF11
SCHEMBL10484322 0.96 HPRT1 (0.56) ALDH1A1HSD17B10HIF1ACYP1B1KIF11
SCHEMBL5618062 0.89 ALDH1A1 (0.54) ALDH1A1HSD17B10HIF1ACYP1B1KIF11
SCHEMBL29913753 0.89 ALDH1A1 (0.54) ALDH1A1HSD17B10HIF1ACYP1B1KIF11
SCHEMBL27456577 0.88 ALDH1A1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1KIF11
SCHEMBL10484075 0.88 HPRT1 (0.56) ALDH1A1HSD17B10HIF1ACYP1B1KIF11
SCHEMBL9798242 0.84 CYP2A6 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1KIF11
SCHEMBL10348677 0.82 ALDH1A1 (0.50) ALDH1A1HSD17B10HIF1ACYP1B1KIF11
SCHEMBL11622042 0.80 AKR1B1 (0.49) ALDH1A1HSD17B10HIF1ACYP1B1KIF11
SCHEMBL19186626 0.79 KIF11 (0.59) ALDH1A1HSD17B10KIF11CYP2A6TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 117 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110462040-A Regulation of polypeptide expression by novel gene switch expression systems INTREXON CORP 2019-11-15 — — CN claimed
CN-110198949-A It is used to prepare 9 β, the technique of 10 α-progesterone (inverse progesterone) 工业化学有限公司 2019-09-03 — — CN claimed
CN-106714770-A Hydroxysteroid compounds, intermediates thereof, preparation method, composition and uses thereof 斯法尔制药私人有限公司 2017-05-24 — — CN claimed
CN-106536539-A Chemical compounds and use thereof for improving muscular quality 比奥菲蒂斯公司 2017-03-22 — — CN claimed
CN-106420767-A 6-substituted estradiol derivatives for use in remyelination of nerve axons 安德斯有限责任公司 2017-02-22 — — CN claimed
CN-106255501-A 6-substituted estradiol derivatives for the treatment of alzheimer's disease 恩德切有限责任公司 2016-12-21 — — CN claimed
CN-106046100-A 17-hydroxy-17-pentafluorethyl-estra-4,9(10)-dien-11-aryl derivatives, methods for the production thereof and the use thereof for treating diseases 拜耳知识产权有限责任公司 2016-10-26 — — CN claimed
CN-102471365-B 17-hydroxy-17-pentafluorethyl female-4,9 (10)-diene 11-acetylenylbenzene radical derivative, its preparation method and the application in treatment illness thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-20 — — CN claimed
CN-102471366-B 17-hydroxy-17-pentafluoroethylestra-4, 9(10) -diene 11-benzylidene derivatives, process for preparing them and their use for treating diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-16 — — CN claimed
CN-105073119-A Novel 11 beta-hydroxysteroid compounds for use in mitochondrial biogenesis and diseases associated with mitochondrial dysfunction or depletion SPHAERA PHARMA PRIVATE LTD 2015-11-18 — — CN claimed
CN-103501790-A 6-substituted estradiol derivatives for remyelination of nerve axons ENDECE LLC 2014-01-08 — — CN claimed
CN-102471365-A 17-hydroxy-17-pentafluoroethylestra-4, 9(10) -diene 11-ethynylphenyl derivatives, method for the production thereof and use thereof for treating diseases BAYER SCHERING PHARMA AG 2012-05-23 — — CN claimed
CN-105916845-B N- heteroaryl compound and composition for inhibiting the active N- azaspiro cycloalkanes of SHP2 to replace 诺华股份有限公司 2019-11-12 — — CN disclosed
CN-110291097-A Steroid compounds and protein-conjugates thereof 里珍纳龙药品有限公司 2019-09-27 — — CN disclosed
CN-110198949-A It is used to prepare 9 β, the technique of 10 α-progesterone (inverse progesterone) 工业化学有限公司 2019-09-03 — — CN disclosed
CN-110099915-A Glucocorticoid receptor inhibitors 欧瑞克制药公司 2019-08-06 — — CN disclosed
US-4623661-A HYDROXAMIC ACID DERIVATIVES ABBOTT LABORATORIES (US) 1986-11-18 — — US disclosed
EP-0199151-A2 Lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1986-10-29 — — EP disclosed
EP-0125701-A2 Polycyclic aromatic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1984-11-21 — — EP disclosed
US-4060677-A Process for molecular weight lowering of vinyl halide polymers employing saturated carbon to carbon bonded aldehydes HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1977-11-29 — — US disclosed
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