SCHEMBL6218982

SCHEMBL6218982

Cn1ccc2cc(-c3c[c]c(Cl)c(Cl)c3/C=C/C(=O)N3CCC(C(=O)O)CC3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 9/20 0.57
ITGB2 P05107 7/20 0.57
ICAM1 P05362 7/20 0.57
CCNC P24863 5/20 0.46
CDK8 P49336 5/20 0.46
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
FASN P49327 1/20 0.35
GPR183 P32249 1/20 0.35
AR P10275 1/20 0.34

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
SCHEMBL6219402 0.91 ITGB2 (0.47) ITGALITGB2ICAM1CCNCCDK8
SCHEMBL6219690 0.90 ITGB2 (0.47) ITGALITGB2ICAM1CCNCCDK8
SCHEMBL6220322 0.89 ITGB2 (0.46) ITGALITGB2ICAM1CCNCCDK8
SCHEMBL6219767 0.89 NPC1 (0.47) ITGALITGB2ICAM1CCNCCDK8
SCHEMBL6219918 0.86 CCNC (0.46) ITGALITGB2ICAM1CCNCCDK8
SCHEMBL6197437 0.85 ITGAL (0.66) ITGALITGB2ICAM1CCNCCDK8
SCHEMBL6219332 0.81 HTT (0.52) ITGALITGB2ICAM1CCNCCDK8
SCHEMBL6311964 0.78 ITGAL (0.77) ITGALITGB2ICAM1CCNCCDK8
SCHEMBL6197403 0.77 ITGAL (0.55) ITGALITGB2ICAM1CCNCCDK8
SCHEMBL6221788 0.76 ITGAL (0.42) ITGALITGB2ICAM1NPC1RAB9A

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-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP claimed