SCHEMBL6317417

SCHEMBL6317417

COc1ccccc1-c1cc(Sc2cc(-c3ccccc3OC)c(/C=C/C(=O)N3CCC(C(=O)O)CC3)c(C(F)(F)F)c2Cl)c(Cl)c(C(F)(F)F)c1/C=C/C(=O)N1CCC(C(=O)O)CC1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 18/20 0.69
ITGB2 P05107 15/20 0.69
ICAM1 P05362 15/20 0.69
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
APOBEC3A P31941 1/20 0.41
RAB9A P51151 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41

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
SCHEMBL6199452 0.93 ITGAL (0.68) ITGALITGB2ICAM1KDM4E
SCHEMBL6196886 0.90 KDM4E (0.56) ITGALITGB2ICAM1KDM4ENPC1
SCHEMBL6200934 0.90 ITGAL (0.66) ITGALITGB2ICAM1KDM4ENPC1
SCHEMBL7857946 0.83 ITGB2 (0.45) ITGALITGB2ICAM1KDM4E
SCHEMBL6199614 0.83 ITGB2 (0.45) ITGALITGB2ICAM1KDM4E
SCHEMBL6308513 0.83 ITGAL (0.55) ITGALITGB2ICAM1KDM4ENPC1
SCHEMBL6317425 0.82 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL6245735 0.81 ITGAL (0.57) ITGALITGB2ICAM1KDM4ENPC1
SCHEMBL6199028 0.81 ITGAL (0.56) ITGALITGB2ICAM1KDM4ENPC1
SCHEMBL6200450 0.81 ITGAL (0.78) ITGALITGB2ICAM1

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-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US claimed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US disclosed