SCHEMBL6217580

SCHEMBL6217580

Cn1ccc2cc(-c3c(Cl)[c]ccc3/C=C/C(=O)N3CCCC(C(=O)O)C3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 4/20 0.50
ICAM1 P05362 4/20 0.50
ITGAL P20701 4/20 0.50
CCNC P24863 3/20 0.43
CDK8 P49336 3/20 0.43
ENPP2 Q13822 2/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 2/20 0.37
PKM P14618 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
GCGR P47871 1/20 0.35

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
SCHEMBL6197269 0.85 ITGAL (0.63) ITGB2ICAM1ITGALCCNCCDK8
SCHEMBL6219690 0.84 ITGB2 (0.47) ITGB2ICAM1ITGALCCNCCDK8
SCHEMBL6219298 0.82 ITGAL (0.54) ITGB2ICAM1ITGALCCNCCDK8
SCHEMBL6221012 0.80 ITGB2 (0.49) ITGB2ICAM1ITGALCCNCCDK8
SCHEMBL6218886 0.78 ENPP2 (0.42) ENPP2HTTLMNAPKMRAB9A
SCHEMBL6198429 0.78 ITGB2 (0.54) ITGB2ICAM1ITGALCCNCCDK8
SCHEMBL6218188 0.78 ITGAL (0.39) ITGB2ICAM1ITGALENPP2HTT
SCHEMBL6198436 0.78 ITGAL (0.81) ITGB2ICAM1ITGAL
SCHEMBL6199078 0.75 ITGB2 (0.52) ITGB2ICAM1ITGALCCNCCDK8
SCHEMBL6311964 0.75 ITGAL (0.77) ITGB2ICAM1ITGALCCNCCDK8

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