SCHEMBL6217665

SCHEMBL6217665

Cc1ccccc1-c1c(C(F)(F)F)[c]ccc1/C=C/C(=O)NCCCN1CCCC1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 5/20 0.48
ICAM1 P05362 5/20 0.48
ITGAL P20701 5/20 0.48
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.40
USP2 O75604 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MALT1 Q9UDY8 1/20 0.39

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
SCHEMBL6222314 0.89 ITGB2 (0.45) ITGB2ICAM1ITGALALDH1A1KMT2A
SCHEMBL7064969 0.84 ITGB2 (0.49) ITGB2ICAM1ITGALALDH1A1KMT2A
SCHEMBL5830373 0.83 ITGB2 (0.56) ITGB2ICAM1ITGALALDH1A1KMT2A
SCHEMBL6220880 0.78 ITGB2 (0.53) ITGB2ICAM1ITGALALDH1A1KMT2A
SCHEMBL6220454 0.78 ITGB2 (0.42) ITGB2ICAM1ITGALALDH1A1KMT2A
SCHEMBL6219369 0.75 ITGB2 (0.47) ITGB2ICAM1ITGALKMT2AL3MBTL1
SCHEMBL6913718 0.75 ITGB2 (0.56) ITGB2ICAM1ITGALKMT2AL3MBTL1
SCHEMBL6198401 0.74 ITGB2 (0.54) ITGB2ICAM1ITGALKMT2AL3MBTL1
SCHEMBL6221358 0.74 RAB9A (0.40) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL6201452 0.73 ITGB2 (0.53) ITGB2ICAM1ITGALALDH1A1KMT2A

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