SCHEMBL7669152

SCHEMBL7669152

Cc1ccc(C)c(-n2nc(C=O)cc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
OPRM1 P35372 1/20 0.40
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
MAPT P10636 2/20 0.38
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
ALDH1A1 P00352 6/20 0.36
TSHR P16473 3/20 0.36
HTT P42858 3/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
CNR2 P34972 1/20 0.35
HCAR1 Q9BXC0 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ADORA2A P29274 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL2324670 0.78 MAPT (0.41) MAPTALDH1A1TSHRLMNATP53
SCHEMBL7669207 0.76 OPRM1 (0.40) HSD17B10OPRM1CDK4CCND1MAPT
SCHEMBL7669196 0.76 OPRM1 (0.40) HSD17B10OPRM1CDK4CCND1MAPT
SCHEMBL7669204 0.76 OPRM1 (0.40) HSD17B10OPRM1CDK4CCND1MAPT
SCHEMBL2324520 0.75 CYP1A2 (0.49) MAPTALDH1A1HTTLMNAGAA
SCHEMBL2517751 0.71 MAPK1 (0.51) TSHRHTTLMNAMAPK1
SCHEMBL2552686 0.71 OPRM1 (0.43) HSD17B10OPRM1CDK4CCND1MAPT
SCHEMBL11349250 0.70 HSD17B10 (0.40) HSD17B10MAPTALDH1A1TSHRHTT
SCHEMBL2555855 0.67 CNR2 (0.40) HSD17B10OPRM1CDK4CCND1MAPT
SCHEMBL1739359 0.67 L3MBTL1 (0.47) ALDH1A1GAA

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
US-6420363-B1 Mono- or polyenic carboxylic acid derivatives EISAI CO., LTD. (JP) 2002-07-16 US disclosed
US-6291508-B1 POTENT ABILITY TO BIND TO RETINOIC ACID RECEPTORS THUS USEFUL IN TREATING PSORIASIS AND RHEUMATOID ARTHRITIS. EISAI CO., LTD. (JP) 2001-09-18 US disclosed
US-6133283-A Mono- or polyenic carboxylic acid derivatives EISAI CO., LTD. (JP) 2000-10-17 US disclosed
US-6030964-A BINDS TO RETINOIC ACID RECEPTORS AND USEFUL FOR TREATING PSORIASIS, AUTOIMMUNE DISEASES, TUMORS, RHEUMATOID ARTHRITIS AND FOR INDUCING IMMUNOSUPPRESSION IN ORGAN TRANSPLANTATION EISAI CO., LTD. (JP) 2000-02-29 US disclosed
US-5977125-A Mono-or polyenic carboxylic acid derivatives EISAI CO., LTD. (JP) 1999-11-02 US disclosed
EP-0790228-A1 MONO- OR POLYENIC CARBOXYLIC ACID DERIVATIVE Eisai Co., Ltd. (JP) 1997-08-20 EP disclosed