SCHEMBL8679538

SCHEMBL8679538

CCC(NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(C)c1C)(Oc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.42
MAPT P10636 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
HPD P32754 1/20 0.40
ATM Q13315 3/20 0.39
PPARG P37231 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CXCR2 P25025 1/20 0.39
INPPL1 O15357 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
PPARA Q07869 2/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL8679798 0.92 MAPT (0.43) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL8678023 0.90 L3MBTL1 (0.40) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL8676564 0.90 MAPT (0.42) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL8677142 0.89 SRD5A2 (0.43) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL8676389 0.85 LRRK2 (0.43) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL8676269 0.85 L3MBTL1 (0.38) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL8679540 0.85 PTGER1 (0.44) MAPTBCL2L1MCL1ATMINPPL1
SCHEMBL8675844 0.84 L3MBTL1 (0.40) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL8679819 0.83 PPARG (0.42) L3MBTL1PPARGNPSR1CXCR2PPARA
SCHEMBL8678032 0.82 CXCR2 (0.44) L3MBTL1PPARGNPSR1CXCR2PPARA

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