SCHEMBL6220263

SCHEMBL6220263

CN1CCN(C(=O)/C=C/c2cc[c]c(Cl)c2-c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.59
ALDH1A1 P00352 1/20 0.59
ITGAL P20701 5/20 0.52
ITGB2 P05107 4/20 0.52
ICAM1 P05362 4/20 0.52
GAA P10253 2/20 0.51
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALPL P05186 1/20 0.43
GPR183 P32249 1/20 0.42
POLB P06746 1/20 0.42
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL6220267 0.92 ITGAL (0.52) RAB9AALDH1A1ITGALITGB2ICAM1
SCHEMBL6221015 0.88 ALPL (0.47) RAB9AALDH1A1ITGALITGB2ICAM1
SCHEMBL6222576 0.85 ITGAL (0.43) RAB9AALDH1A1ITGALITGB2ICAM1
SCHEMBL6216341 0.82 KDM4E (0.58) ALDH1A1ITGALITGB2ICAM1GAA
SCHEMBL5830729 0.80 ITGAL (0.64) RAB9AALDH1A1ITGALITGB2ICAM1
SCHEMBL6218886 0.80 ENPP2 (0.42) RAB9AALDH1A1GAALMNASMN1; SMN2
SCHEMBL6219235 0.79 ITGAL (0.42) RAB9AALDH1A1ITGALITGB2ICAM1
SCHEMBL7613155 0.79 ITGAL (0.54) RAB9AALDH1A1ITGALITGB2ICAM1
SCHEMBL6218000 0.76 SMN1; SMN2 (0.45) RAB9AALDH1A1ITGALITGB2ICAM1
SCHEMBL6214988 0.75 ITGAL (0.39) RAB9AALDH1A1ITGALITGB2ICAM1

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