SCHEMBL985763

SCHEMBL985763

CCc1cc(CC)cc(C(=O)Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
ALDH1A1 P00352 3/20 0.41
PTGS2 P35354 3/20 0.38
PLK1 P53350 1/20 0.38
GLRA1 P23415 1/20 0.37
BCL2 P10415 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
PTGS1 P23219 2/20 0.35
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL15470773 0.87 SLC7A5 (0.41) RXRARXRBALDH1A1PTGS2PLK1
SCHEMBL28288053 0.83 GAA (0.45) RXRARXRBALDH1A1GAAMAPT
SCHEMBL11755705 0.80 PTGS2 (0.51) RXRARXRBALDH1A1PTGS2PLK1
SCHEMBL7937910 0.79 GPR84 (0.52) ALDH1A1PTGS2PLK1CNR2
SCHEMBL3890873 0.79 CNR2 (0.51) ALDH1A1PTGS2BCL2MAPTCNR2
SCHEMBL10498757 0.78 RXRA (0.48) RXRARXRBALDH1A1PTGS2PLK1
SCHEMBL334347 0.78 RXRA (0.64) RXRARXRBALDH1A1PTGS2BCL2
SCHEMBL526436 0.76 ALDH1A1 (0.64) RXRARXRBALDH1A1PLK1GAA
SCHEMBL1004651 0.76 RXRA (0.47) RXRARXRBALDH1A1PTGS2PLK1
SCHEMBL31490509 0.76 CES2 (0.38) ALDH1A1GLRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114014824-B Application of heterocyclic compound 上海科技大学 2023-06-13 CN disclosed
CN-114014824-A Application of heterocyclic compound 上海科技大学 2022-02-08 CN disclosed
US-7875631-B2 e.g.1-(3,5-dichlorophenyl)-2-formyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline; to prevent and/or treat cancer and other abnormal cell growth, and metabolic as well as blood vessel proliferate disorders, in which uncontrolled expression of insulin-like growth factor-1 receptor is observed ANALYTECON S.A. (CH) 2011-01-25 US disclosed
EP-0945764-B1 Photoresist composition SUMITOMO CHEMICAL CO (JP) 2003-06-18 EP disclosed
EP-0945764-A2 Photoresist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-29 EP disclosed
US-4001426-A HAVING CORONARY VASODILATOR ACTIVITY SMITHKLINE CORPORATION (US) 1977-01-04 US disclosed