SCHEMBL7712754

SCHEMBL7712754

CC(C)CC(=O)c1cccc(C(=O)O)c1O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALB P02768 1/20 0.47
MMP2 P08253 1/20 0.47
GRM2 Q14416 3/20 0.47
HMGB1 P09429 1/20 0.45
HNF4A P41235 1/20 0.44
FFAR1 O14842 1/20 0.44

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
SCHEMBL13257558 0.83 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10GRM2
SCHEMBL2763225 0.79 ALDH1A1 (0.57) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL1272896 0.79 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL110532 0.78 ALDH1A1 (0.70) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL8436637 0.77 HNF4A (0.55) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL5176419 0.76 HPGD (0.53) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL1582462 0.76 HNF4A (0.63) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL16168319 0.76 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10GRM2
SCHEMBL28094410 0.76 ALDH1A1 (0.67) KDM4EALDH1A1HPGDHSD17B10ALB
Methane SCHEMBL28154128 0.76 ALDH1A1 (0.67) KDM4EALDH1A1HPGDHSD17B10ALB

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
US-6368615-B1 POLYMER OF UNSATURATED ESTER OF SALICYLIC ACID GUTTAG ALVIN (US) 2002-04-09 US disclosed
US-6037338-A AND REDUCING RISK OF HEART ATTACKS GUTTAG ALVIN (US) 2000-03-14 US disclosed
US-5910511-A ALTERNATIVE TO ASPIRIN WHICH HAS LESSER UNDESIRABLE SIDE EFFECTS GUTTAG ALVIN (US) 1999-06-08 US disclosed
US-5760261-A ANTINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS; SIDE EFFECTREDUCTION GUTTAG ALVIN (US) 1998-06-02 US disclosed