SCHEMBL7501852

SCHEMBL7501852

CCCCCCCCCCCCc1cc(C(=O)O)no1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.62
HCAR2 Q8TDS4 3/20 0.53
HCAR3 P49019 2/20 0.50
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
HDAC3 O15379 1/20 0.44
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
TSHR P16473 1/20 0.43
XBP1 P17861 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RIPK1 Q13546 1/20 0.42

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
SCHEMBL11717092 1.00 PPARA (0.62) PPARAHCAR2HCAR3RAB9ANPC1
SCHEMBL11722901 1.00 PPARA (0.62) PPARAHCAR2HCAR3RAB9ANPC1
SCHEMBL4016809 0.98 PPARA (0.60) PPARAHCAR2HCAR3RAB9ANPC1
SCHEMBL11721077 0.93 PPARA (0.54) PPARAHCAR2HCAR3RAB9ANPC1
SCHEMBL4033814 0.87 PPARA (0.58) PPARAHCAR2RAB9ANPC1SMN1; SMN2
SCHEMBL3771944 0.86 RAB9A (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL17288997 0.85 PPARA (0.46) PPARAHCAR2RAB9ANPC1SMN1; SMN2
SCHEMBL17288448 0.85 PPARA (0.46) PPARAHCAR2RAB9ANPC1SMN1; SMN2
SCHEMBL4024862 0.85 PPARA (0.56) PPARARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL27275588 0.83 PPARA (0.55) PPARARAB9ANPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684945-B1 PYRAZOLE- OR ISOXAZOLE-SUBSTITUTED ALKYL AMIDE ACAT INHIBITORS WARNER LAMBERT CO (US) 2002-07-24 EP disclosed
EP-1203767-A1 Heterocyclic-substituted alkylamide acat inhibitors WARNER-LAMBERT COMPANY (US) 2002-05-08 EP disclosed
US-5693657-A USEFUL FOR TREATING HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1997-12-02 US disclosed
US-5646170-A ACYLCOENZYME A:CHOLESTEROL ACYLTRANSFERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1997-07-08 US disclosed
EP-0684945-A1 HETEROCYCLIC-SUBSTITUTED ALKYL AMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1995-12-06 EP disclosed
US-5441975-A Anticholesterol agent WARNER-LAMBERT COMPANY (US) 1995-08-15 US disclosed
US-5366987-A Enzyme inhibitors, anticholesterol WARNER-LAMBERT COMPANY (US) 1994-11-22 US disclosed
WO-1994019330-A1 HETEROCYCLIC-SUBSTITUTED ALKYL AMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-09-01 WO disclosed