SCHEMBL8677140

SCHEMBL8677140

Cc1c(OCc2ccc(CC(C)C)cc2)ccc(C(=O)NC(CCOc2ccccc2)C(=O)O)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.45
GPR132 Q9UNW8 1/20 0.43
GRM2 Q14416 1/20 0.42
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
PPARG P37231 1/20 0.42
KIFC1 Q9BW19 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL8678019 0.91 PPARG (0.45) SRD5A2GRM2PPARGFNTAFNTB
SCHEMBL8679794 0.90 PPARG (0.43) GPR132GRM2MMEACECPA1
SCHEMBL8679534 0.90 PTPN1 (0.46) GPR132PPARGITGB3FNTAFNTB
SCHEMBL8676357 0.89 SRD5A2 (0.59) SRD5A2GRM2PPARGITGB3ITGA2B
SCHEMBL8676560 0.89 FNTA (0.41) GPR132FNTAFNTBMAPTCYP2C9
SCHEMBL8676384 0.85 GPR132 (0.43) GPR132FNTAFNTB
SCHEMBL8676266 0.85 FNTA (0.38) ITGB3ITGA2BFNTAFNTBMAPT
SCHEMBL8675834 0.83 FNTA (0.41) GRM2PPARGITGB3FNTAFNTB
SCHEMBL8679817 0.83 GRM2 (0.43) GPR132GRM2PPARGITGB3
SCHEMBL8678028 0.82 GRM2 (0.45) GPR132GRM2PPARGITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753641-A SYNERGISTIC THERAPY COMPRISING FINASTERIDE AND TERAZOSIN DRUGS MERCK & CO., INC. (US) 1998-05-19 US disclosed