SCHEMBL8677142

SCHEMBL8677142

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 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
CXCR2 P25025 2/20 0.38
PPARG P37231 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GRM2 Q14416 2/20 0.36
FFAR4 Q5NUL3 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PPARA Q07869 2/20 0.35
LMNA P02545 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
SCHEMBL8678023 0.91 L3MBTL1 (0.40) SRD5A2L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL8679798 0.90 MAPT (0.43) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL8679538 0.89 L3MBTL1 (0.42) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL8676564 0.89 MAPT (0.42) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL8676364 0.88 SRD5A2 (0.55) SRD5A2L3MBTL1CYP2C9CXCR2NPSR1
SCHEMBL8677143 0.85 HPGD (0.40) SRD5A2L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL8676389 0.84 LRRK2 (0.43) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL8676269 0.84 L3MBTL1 (0.38) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL8675844 0.82 L3MBTL1 (0.40) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL8679819 0.81 PPARG (0.42) L3MBTL1CXCR2PPARGNPSR1GRM2

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