SCHEMBL8675844

SCHEMBL8675844

CCC(NC(=O)c1ccc(OCc2c(C)cccc2C)c(C)c1C)(Oc1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SGMS2 Q8NHU3 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CXCR2 P25025 3/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
PPARA Q07869 4/20 0.35
PPARG P37231 3/20 0.35
PPARD Q03181 3/20 0.35
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
GSTP1 P09211 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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 0.86 MAPT (0.43) L3MBTL1NPSR1MAPTTDP1CYP2C9
SCHEMBL8676389 0.85 LRRK2 (0.43) L3MBTL1NPSR1MAPTTDP1CYP2C9
SCHEMBL8675846 0.84 SLC22A12 (0.40) L3MBTL1NPSR1SGMS2SLC22A12MAPT
SCHEMBL8676564 0.84 MAPT (0.42) L3MBTL1NPSR1MAPTTDP1CYP2C9
SCHEMBL8679538 0.84 L3MBTL1 (0.42) L3MBTL1NPSR1MAPTTDP1CYP2C9
SCHEMBL8679819 0.82 PPARG (0.42) L3MBTL1NPSR1CXCR2PPARAPPARG
SCHEMBL8678023 0.82 L3MBTL1 (0.40) L3MBTL1NPSR1MAPTTDP1CYP2C9
SCHEMBL8677142 0.82 SRD5A2 (0.43) L3MBTL1NPSR1MAPTTDP1CYP2C9
SCHEMBL8561805 0.82 NPSR1 (0.48) L3MBTL1NPSR1MAPTTDP1CYP2C9
SCHEMBL8678032 0.82 CXCR2 (0.44) L3MBTL1NPSR1CXCR2PPARAPPARG

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