SCHEMBL27577331

SCHEMBL27577331

O=C(/C=C/c1ccc(Sc2ccc(/C=C/C(=O)N3CCC(O)CC3)c(C(F)(F)F)c2C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F)N1CCC(O)CC1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.63
ICAM1 P05362 20/20 0.63
ITGAL P20701 20/20 0.63

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
SCHEMBL7646849 0.84 ITGB2 (0.74) ITGB2ICAM1ITGAL
SCHEMBL6568600 0.81 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL6310429 0.81 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL7612106 0.81 ITGB2 (0.54) ITGB2ICAM1ITGAL
SCHEMBL7612088 0.81 ITGB2 (0.54) ITGB2ICAM1ITGAL
SCHEMBL6817901 0.80 ITGB2 (0.52) ITGB2ICAM1ITGAL
SCHEMBL7645298 0.80 ITGB2 (0.52) ITGB2ICAM1ITGAL
SCHEMBL14362664 0.80 ITGB2 (0.89) ITGB2ICAM1ITGAL
SCHEMBL5443162 0.80 ITGB2 (0.89) ITGB2ICAM1ITGAL
SCHEMBL6199465 0.78 ITGAL (1.00) ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1353691-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-06-12 CN claimed
CN-1353691-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-06-12 CN disclosed