SCHEMBL8676364

SCHEMBL8676364

CCC(NC(=O)c1ccc(OC(C)c2ccc(CC(C)C)cc2)c(C)c1C)(Oc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.55
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FFAR1 O14842 1/20 0.36
SRD5A1 P18405 3/20 0.35
CHRM1 P11229 1/20 0.34
PDE4A P27815 1/20 0.34
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
CXCR2 P25025 3/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 2/20 0.34
AKR1C3 P42330 2/20 0.34
CXCR1 P25024 2/20 0.34
ALB P02768 1/20 0.34
ESR1 P03372 1/20 0.34
ALOX5 P09917 1/20 0.34
RARB P10826 1/20 0.34
ADRB3 P13945 1/20 0.34
NFKB1 P19838 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
SCHEMBL8677142 0.88 SRD5A2 (0.43) SRD5A2NPSR1L3MBTL1CXCR2LMNA
SCHEMBL8676367 0.86 SRD5A2 (0.49) SRD5A2FFAR1SRD5A1PTGS1PTGS2
SCHEMBL8678023 0.82 L3MBTL1 (0.40) SRD5A2NPSR1L3MBTL1CXCR2CYP2C9
SCHEMBL9371659 0.78 SRD5A2 (0.56) SRD5A2FFAR1SRD5A1PTGS1PTGS2
SCHEMBL8679798 0.78 MAPT (0.43) NPSR1L3MBTL1CXCR2LMNACYP2C9
SCHEMBL8679819 0.77 PPARG (0.42) NPSR1L3MBTL1CXCR2ALOX5CNR1
SCHEMBL8676564 0.76 MAPT (0.42) NPSR1L3MBTL1FFAR1CXCR2LMNA
SCHEMBL8679538 0.76 L3MBTL1 (0.42) NPSR1L3MBTL1CXCR2CYP2C9
SCHEMBL9368473 0.76 SRD5A2 (0.58) SRD5A2FFAR1CHRM1PDE4APTGS1
SCHEMBL8676361 0.76 SRD5A2 (0.59) SRD5A2FFAR1SRD5A1TRPV1

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