SCHEMBL7538707

SCHEMBL7538707

COc1cccc(C(=O)NC(Cc2c[nH]c(=O)nc2NC(=O)c2c(C)cccc2C)C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 4/20 0.48
ICAM1 P05362 4/20 0.48
ITGAL P20701 4/20 0.48
TACR1 P25103 1/20 0.44
GPR139 Q6DWJ6 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GPR132 Q9UNW8 4/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM5 P41594 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL7540043 0.92 TACR1 (0.46) ITGB2ICAM1ITGALTACR1GPR139
SCHEMBL7545919 0.91 ITGB2 (0.49) ITGB2ICAM1ITGALTACR1L3MBTL1
SCHEMBL7539253 0.91 ITGB1 (0.49) ITGB2ICAM1ITGALTACR1GPR139
SCHEMBL7540060 0.90 ITGB2 (0.51) ITGB2ICAM1ITGALTACR1L3MBTL1
SCHEMBL7539177 0.88 ITGB2 (0.49) ITGB2ICAM1ITGALTACR1L3MBTL1
SCHEMBL7545879 0.88 ITGB2 (0.49) ITGB2ICAM1ITGALL3MBTL1TP53
SCHEMBL7563730 0.87 ITGB2 (0.61) ITGB2ICAM1ITGALL3MBTL1TP53
SCHEMBL7547460 0.86 ITGB2 (0.56) ITGB2ICAM1ITGALL3MBTL1TP53
SCHEMBL7544812 0.86 ITGB2 (0.56) ITGB2ICAM1ITGALL3MBTL1TP53
SCHEMBL7539088 0.86 ITGB2 (0.52) ITGB2ICAM1ITGALTACR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP disclosed