SCHEMBL6568434

SCHEMBL6568434

COC(=O)/C=C/c1ccc(Sc2cccc(Br)c2)c(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 6/20 0.41
ICAM1 P05362 6/20 0.41
ITGAL P20701 6/20 0.41
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
MCL1 Q07820 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6195515 1.00 ITGB2 (0.41) ITGB2ICAM1ITGALALDH1A1KMT2A
SCHEMBL6568853 0.86 ITGB2 (0.43) ITGB2ICAM1ITGALALDH1A1MAPT
SCHEMBL6316878 0.86 ITGB2 (0.43) ITGB2ICAM1ITGALALDH1A1MAPT
SCHEMBL6567144 0.83 ITGB2 (0.49) ITGB2ICAM1ITGALALDH1A1KMT2A
SCHEMBL6310553 0.80 ITGAL (0.49) ITGB2ICAM1ITGALALDH1A1KMT2A
SCHEMBL6567852 0.77 ITGAL (0.61) ITGB2ICAM1ITGAL
SCHEMBL6240384 0.76 ALDH1A1 (0.44) ITGB2ICAM1ITGALALDH1A1KMT2A
SCHEMBL6240387 0.76 ALDH1A1 (0.44) ITGB2ICAM1ITGALALDH1A1KMT2A
SCHEMBL6312354 0.75 ITGAL (0.49) ITGB2ICAM1ITGAL
SCHEMBL6568044 0.75 ITGAL (0.49) ITGB2ICAM1ITGAL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP disclosed
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP disclosed