SCHEMBL8678019

SCHEMBL8678019

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
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
L3MBTL1 Q9Y468 1/20 0.40
GRM2 Q14416 1/20 0.40
GCGR P47871 1/20 0.40
SRD5A2 P31213 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
SCHEMBL8679534 0.91 PTPN1 (0.46) PPARGFNTAFNTBMAPTCYP2C9
SCHEMBL8677140 0.91 SRD5A2 (0.45) PPARGFNTAFNTBMAPTCYP2C9
SCHEMBL8679794 0.90 PPARG (0.43) PPARGFNTAFNTBMAPTCYP2C9
SCHEMBL8676560 0.89 FNTA (0.41) FNTAFNTBMAPTCYP2C9CYP2C19
SCHEMBL8676384 0.85 GPR132 (0.43) FNTAFNTB
SCHEMBL8676266 0.85 FNTA (0.38) FNTAFNTBMAPTCYP2C9CYP2C19
SCHEMBL8675834 0.83 FNTA (0.41) PPARGFNTAFNTBTDP1L3MBTL1
SCHEMBL8676357 0.83 SRD5A2 (0.59) PPARGGRM2SRD5A2
SCHEMBL8679817 0.83 GRM2 (0.43) PPARGGRM2
SCHEMBL8678028 0.82 GRM2 (0.45) PPARGGRM2

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