SCHEMBL7944663

SCHEMBL7944663

CC(=O)c1c(C)c2ccc(N)cc2oc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.53
CA12 O43570 6/20 0.50
CA9 Q16790 6/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
CA1 P00915 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HSD17B3 P37058 4/20 0.47
CCNT1 O60563 3/20 0.47
CDK9 P50750 3/20 0.47
CCNA2 P20248 2/20 0.47
CDK2 P24941 2/20 0.47
CCNK O75909 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 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
SCHEMBL6888225 0.88 SRC (0.53) SRCCA12CA9KDM4EALDH1A1
SCHEMBL8679670 0.88 SRC (0.53) SRCCA12CA9KDM4EALDH1A1
SCHEMBL31281022 0.87 SRC (0.52) SRCCA12CA9KDM4EALDH1A1
SCHEMBL125671 0.83 HSD17B3 (0.71) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL7586984 0.83 SRC (0.49) SRCCA12CA9KDM4EALDH1A1
SCHEMBL3275289 0.83 SRC (0.49) SRCCA12CA9KDM4EALDH1A1
SCHEMBL2000840 0.82 SRC (0.63) SRCCA12CA9KDM4EALDH1A1
SCHEMBL5675497 0.82 SRC (0.51) SRCCA12CA9KDM4EALDH1A1
SCHEMBL180111 0.79 HPGD (0.50) SRCCA12CA9KDM4EALDH1A1
SCHEMBL29814668 0.79 HPGD (0.50) SRCCA12CA9KDM4EALDH1A1

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-6251858-B1 DERIVATIVES OF GLYCOSYLAMINE IN WHICH THE OLIGOSIDES ARE FIXED ON AT LEAST ONE MOLECULE, MATRIX OR PARTICLE I.D.M. IMMUNO-DESIGNED MOLECULES (FR) 2001-06-26 US disclosed
EP-0766689-B1 NOVEL OLIGOSACCHARIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USES THEREOF IDM IMMUNO DESIGNED MOLECULES (FR) 1999-10-20 EP disclosed
EP-0766689-A1 NOVEL OLIGOSACCHARIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USES THEREOF I.D.M. IMMUNO-DESIGNED MOLECULES (FR) 1997-04-09 EP disclosed
WO-1996000229-A1 NOVEL OLIGOSACCHARIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USES THEREOF I.D.M. IMMUNO-DESIGNED MOLECULES (FR) 1996-01-04 WO disclosed