SCHEMBL7763818

SCHEMBL7763818

O=C(O)CCCCCc1ccc(-c2ccccc2)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 3/20 0.50
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
ACMSD Q8TDX5 3/20 0.49
HNF4A P41235 2/20 0.49
DHFR P00374 1/20 0.49
MCL1 Q07820 1/20 0.49
LTB4R Q15722 4/20 0.48
DCLRE1A Q6PJP8 1/20 0.48
DCLRE1B Q9H816 1/20 0.48
FFAR1 O14842 2/20 0.46
PTGER1 P34995 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC3 O15379 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45

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
SCHEMBL26679439 0.85 DCLRE1B (0.62) ACMSDHNF4ADHFRMCL1DCLRE1A
SCHEMBL503904 0.81 MAPT (0.59) F13A1MAPTRXFP1LTB4RHDAC1
SCHEMBL9861570 0.81 MAPT (0.59) F13A1MAPTRXFP1LTB4RHDAC1
SCHEMBL4948042 0.78 HDAC1 (0.52) ACMSDHNF4ADHFRMCL1FFAR1
SCHEMBL10516116 0.78 ACMSD (0.58) ACMSDHNF4ADHFRMCL1DCLRE1A
SCHEMBL30595407 0.78 ACMSD (0.58) ACMSDHNF4ADHFRMCL1DCLRE1A
SCHEMBL30637100 0.77 FOLH1 (0.61) MAPTRXFP1FFAR1HDAC1HDAC2
SCHEMBL9759595 0.77 FOLH1 (0.61) MAPTRXFP1FFAR1HDAC1HDAC2
Biphenyl SCHEMBL7642659 0.77 HDAC3 (0.65) MAPTRXFP1LTB4RFFAR1HDAC1
Biphenyl SCHEMBL3175348 0.77 HDAC3 (0.65) MAPTRXFP1LTB4RFFAR1HDAC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed