SCHEMBL7706573

SCHEMBL7706573

COC(=O)C(Cc1cccc(OCc2c(Cl)cccc2Cl)c1)NC(=O)c1cccnc1Cl

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 9/20 0.49
ITGA4 P13612 6/20 0.49
ITGA5 P08648 3/20 0.45
GPR132 Q9UNW8 6/20 0.44
TDP1 Q9NUW8 1/20 0.43
ITGB7 P26010 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CMKLR2 P46091 1/20 0.42
CMKLR1 Q99788 1/20 0.42
TACR3 P29371 1/20 0.41

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
SCHEMBL7608108 0.91 ITGA4 (0.55) ITGB1ITGA4ITGA5ITGB7RAB9A
SCHEMBL7709504 0.91 ITGB1 (0.55) ITGB1ITGA4ITGA5GPR132ITGB7
SCHEMBL7607524 0.81 ITGA4 (0.51) ITGB1ITGA4ITGA5RAB9A
SCHEMBL7607529 0.81 ITGA4 (0.59) ITGB1ITGA4ITGA5
SCHEMBL7485965 0.80 TSHR (0.55) ITGB1ITGA4ITGB7
SCHEMBL7612138 0.79 ITGB1 (0.51) ITGB1ITGA4ITGA5TDP1ITGB7
SCHEMBL7709191 0.76 LTA4H (0.49) ITGB1ITGA4
SCHEMBL7608992 0.74 ITGA4 (0.69) ITGB1ITGA4ITGA5GPR132
SCHEMBL14270710 0.73 ITGB1 (0.57) ITGB1ITGA4ITGA5RAB9A
SCHEMBL7608107 0.73 ITGB1 (0.46) ITGB1ITGA4TDP1RAB9A

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
US-6362204-B1 CONTROLLING IMMUNOLOGY; ANTIINFLAMMATORY AGENTS CELLTECH THERAPEUTICS, LTD (GB) 2002-03-26 US disclosed