SCHEMBL7529979

SCHEMBL7529979

NCC(=O)c1cccc(C(=O)O)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 2/20 0.58
MMP2 P08253 1/20 0.57
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 3/20 0.52
HPGD P15428 2/20 0.52
ALB P02768 1/20 0.52
HNF4A P41235 1/20 0.48
G6PD P11413 1/20 0.47
CASP7 P55210 1/20 0.47
CASP6 P55212 1/20 0.47
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL1272896 0.83 ALDH1A1 (0.55) HMGB1MMP2ALDH1A1KDM4EHSD17B10
SCHEMBL110532 0.82 ALDH1A1 (0.70) HMGB1MMP2ALDH1A1KDM4EHSD17B10
SCHEMBL8436637 0.82 HNF4A (0.55) HMGB1MMP2ALDH1A1KDM4EHSD17B10
SCHEMBL14645922 0.82 ALOX5 (0.50) HMGB1MMP2ALDH1A1KDM4EHSD17B10
SCHEMBL7820247 0.81 ALDH1A1 (0.64) HMGB1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL1582462 0.81 HNF4A (0.63) HMGB1MMP2ALDH1A1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL28210457 0.80 ALDH1A1 (0.67) HMGB1MMP2ALDH1A1KDM4EHSD17B10
Methane SCHEMBL28154128 0.80 ALDH1A1 (0.67) HMGB1MMP2ALDH1A1KDM4EHSD17B10
SCHEMBL28094410 0.80 ALDH1A1 (0.67) HMGB1MMP2ALDH1A1KDM4EHSD17B10
SCHEMBL9708883 0.80 ALDH1A1 (0.52) HMGB1MMP2ALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103260629-A Composition for treating and preventing diseases related to inflammatory reaction AIHOL CORP 2013-08-21 CN disclosed
EP-1192129-A2 PHARMACEUTICAL COMPOUNDS NICOX S.A. (FR) 2002-04-03 EP disclosed
WO-2000061549-A2 PHARMACEUTICAL COMPOUNDS NICOX S.A. (FR) 2000-10-19 WO disclosed
EP-0732322-B1 Acetylsalicylic acid derivatives having a vinyl group UBE INDUSTRIES (JP) 1999-12-22 EP disclosed
US-5693320-A ANTICOAGULANTS, BIOCOMPATIBILITY, MEDICAL EQUIPMENT UBE INDUSTRIES, LTD. (JP) 1997-12-02 US disclosed
EP-0732322-A1 Acetylsalicylic acid derivatives having a vinyl group UBE INDUSTRIES, LTD. (JP) 1996-09-18 EP disclosed