SCHEMBL7541000

SCHEMBL7541000

COc1cccc(OC)c1C(=O)Nc1nc(=O)[nH]cc1CC(NC(=O)c1cccc(Br)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 8/20 0.42
ICAM1 P05362 8/20 0.42
ITGAL P20701 8/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ERAP2 Q6P179 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TACR1 P25103 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ERAP1 Q9NZ08 2/20 0.38
LNPEP Q9UIQ6 2/20 0.38

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
SCHEMBL7542032 0.92 FPR2 (0.41) ITGB2ICAM1ITGALERAP2TACR1
SCHEMBL7549315 0.91 ITGB2 (0.42) ITGB2ICAM1ITGALERAP2NPC1
SCHEMBL7540043 0.91 TACR1 (0.46) ITGB2ICAM1ITGALERAP2TACR1
SCHEMBL7542690 0.90 TACR1 (0.43) ITGB2ICAM1ITGALERAP2TACR1
SCHEMBL7538530 0.90 ITGB2 (0.48) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL7545879 0.89 ITGB2 (0.49) ITGB2ICAM1ITGALERAP2KMT2A
SCHEMBL7538511 0.87 ITGB1 (0.47) ITGB2ICAM1ITGAL
SCHEMBL7545203 0.87 ITGB2 (0.43) ITGB2ICAM1ITGALERAP2TACR1
SCHEMBL7541018 0.87 KMT2A (0.45) ITGB2ICAM1ITGALTACR1MEN1
SCHEMBL7542026 0.86 ITGB2 (0.54) ITGB2ICAM1ITGALMEN1KMT2A

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