SCHEMBL8679798

SCHEMBL8679798

CCc1ccc(COc2ccc(C(=O)NC(CC)(Oc3ccccc3)C(=O)O)c(C)c2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PPARG P37231 5/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CXCR2 P25025 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 2/20 0.38
RAB9A P51151 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
PPARA Q07869 4/20 0.37
PPARD Q03181 2/20 0.37
ALDH1A1 P00352 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL8679538 0.92 L3MBTL1 (0.42) MAPTL3MBTL1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL8676564 0.92 MAPT (0.42) MAPTL3MBTL1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL8677142 0.90 SRD5A2 (0.43) MAPTL3MBTL1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL8678023 0.90 L3MBTL1 (0.40) MAPTL3MBTL1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL8676389 0.87 LRRK2 (0.43) MAPTL3MBTL1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL8676269 0.87 L3MBTL1 (0.38) MAPTL3MBTL1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL8675844 0.86 L3MBTL1 (0.40) MAPTL3MBTL1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL8679819 0.84 PPARG (0.42) L3MBTL1PPARGNPSR1CXCR2PPARA
SCHEMBL8679799 0.84 MAPT (0.42) MAPTL3MBTL1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL8678032 0.84 CXCR2 (0.44) L3MBTL1PPARGNPSR1CXCR2MEN1

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