SCHEMBL9875296

SCHEMBL9875296

O=C(CC(=O)OC(c1ccccc1)c1ccccc1)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
LMNA P02545 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.45
KIF11 P52732 1/20 0.44
CYP2D6 P10635 2/20 0.43
SRC P12931 1/20 0.43
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL28553963 0.92 CRHBP (0.57) CRHBPCRHR2ESR1ESR2LMNA
SCHEMBL27821076 0.92 CRHBP (0.57) CRHBPCRHR2ESR1ESR2LMNA
SCHEMBL5402590 0.88 CRHBP (0.54) CRHBPCRHR2ESR1ESR2LMNA
SCHEMBL10548703 0.88 GAA (0.50) CRHBPCRHR2LMNAKDM4EALDH1A1
SCHEMBL32684616 0.87 CRHBP (0.56) CRHBPCRHR2ESR1ESR2LMNA
SCHEMBL10641894 0.87 CRHBP (0.53) CRHBPCRHR2ESR1ESR2LMNA
SCHEMBL28104351 0.86 CRHBP (0.49) CRHBPCRHR2ESR1ESR2LMNA
SCHEMBL10414886 0.85 CRHBP (0.51) CRHBPCRHR2ESR1ESR2LMNA
SCHEMBL28087000 0.85 CRHBP (0.51) CRHBPCRHR2ESR1ESR2LMNA
SCHEMBL9512744 0.85 CRHBP (0.51) CRHBPCRHR2ESR1ESR2LMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113603600-A Preparation method of 5-aminolevulinic acid hydrochloride 山东威高药业股份有限公司 2021-11-05 CN claimed
CN-110218231-B Cyclobutane dicarboxylic acid platinum complex, intermediate thereof, preparation method thereof, pharmaceutical composition and application thereof 天津谷堆生物医药科技有限公司 2023-03-24 CN disclosed
CN-115835909-A Cannabinoid receptor type 2 (CB 2) modulators and uses thereof 泰昂治疗公司 2023-03-21 CN disclosed
CN-110218230-B Vitamin C coupled platinum complex, intermediate thereof, preparation method thereof, pharmaceutical composition and application 天津谷堆生物医药科技有限公司 2022-06-28 CN disclosed
CN-113603600-A Preparation method of 5-aminolevulinic acid hydrochloride 山东威高药业股份有限公司 2021-11-05 CN disclosed
CN-105980345-B Method for continuously producing ketomalonic acid compound using flow reactor 组合化学工业株式会社 2019-12-20 CN disclosed
CN-102395585-A Heteroaryls and their use as pi3k inhibitors MILLENNIUM PHARM INC 2012-03-28 CN disclosed
CN-100360598-C Low-dust granules of plastic additives CIBA GEIGY AG (CH) 2008-01-09 CN disclosed
CN-1133299-A Method for preparation of stabilized olefines polymer CIBA GEIGY (CH) 1996-10-16 CN disclosed
US-5049694-A Cardiovascular disorders CEDONA PHARMACEUTICALS B.V. (NL) 1991-09-17 US disclosed
EP-0359335-A2 Pharmaceutical composition having relaxing activity which contains a nitrate ester as active substance CEDONA PHARMACEUTICALS B.V. (NL) 1990-03-21 EP disclosed