SCHEMBL6567144

SCHEMBL6567144

COC(=O)/C=C/c1ccc(Sc2ccc(/C=C/C(=O)OC)c(Cl)c2Cl)c(Cl)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 6/20 0.49
ICAM1 P05362 6/20 0.49
ITGAL P20701 6/20 0.49
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TYR P14679 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL6240387 0.89 ALDH1A1 (0.44) ITGB2ICAM1ITGALALDH1A1MAPT
SCHEMBL6240384 0.89 ALDH1A1 (0.44) ITGB2ICAM1ITGALALDH1A1MAPT
SCHEMBL6310553 0.88 ITGAL (0.49) ITGB2ICAM1ITGALALDH1A1MAPT
SCHEMBL6195515 0.83 ITGB2 (0.41) ITGB2ICAM1ITGALALDH1A1MAPT
SCHEMBL6568434 0.83 ITGB2 (0.41) ITGB2ICAM1ITGALALDH1A1MAPT
SCHEMBL4283168 0.81 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL4283165 0.81 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL6568833 0.80 ITGB2 (0.52) ITGB2ICAM1ITGALMAPTCA1
SCHEMBL6817329 0.80 ITGB2 (0.52) ITGB2ICAM1ITGALMAPTCA1
SCHEMBL6499060 0.79 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EKMT2AMEN1

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