SCHEMBL7709504

SCHEMBL7709504

O=C(NC(Cc1cccc(OCc2c(Cl)cccc2Cl)c1)C(=O)O)c1cccnc1Cl

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 7/20 0.55
ITGA5 P08648 3/20 0.55
GPR132 Q9UNW8 10/20 0.54
ITGA4 P13612 5/20 0.52
CMKLR2 P46091 1/20 0.52
CMKLR1 Q99788 1/20 0.52
ITGB2 P05107 1/20 0.49
ICAM1 P05362 1/20 0.49
ITGAL P20701 1/20 0.49
ITGB7 P26010 1/20 0.47

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
SCHEMBL7706573 0.91 ITGB1 (0.49) ITGB1ITGA5GPR132ITGA4CMKLR2
SCHEMBL7607529 0.90 ITGA4 (0.59) ITGB1ITGA5ITGA4
SCHEMBL7607352 0.82 ITGA4 (0.55) ITGB1ITGA5ITGA4
SCHEMBL7608108 0.81 ITGA4 (0.55) ITGB1ITGA5ITGA4ITGB7
SCHEMBL7608992 0.81 ITGA4 (0.69) ITGB1ITGA5GPR132ITGA4
SCHEMBL6603278 0.79 ITGB2 (0.48) ITGB1ITGA5GPR132ITGA4ITGB2
SCHEMBL6515404 0.79 ITGB1 (0.65) ITGB1ITGA5ITGA4ITGB7
SCHEMBL7605825 0.78 ITGB1 (0.59) ITGB1ITGA5ITGA4ITGB2ICAM1
SCHEMBL7605822 0.78 ITGB1 (0.59) ITGB1ITGA5ITGA4ITGB2ICAM1
SCHEMBL7991508 0.78 ITGB1 (0.59) ITGB1ITGA5ITGA4ITGB2ICAM1

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
US-6362204-B1 CONTROLLING IMMUNOLOGY; ANTIINFLAMMATORY AGENTS CELLTECH THERAPEUTICS, LTD (GB) 2002-03-26 US disclosed