SCHEMBL7547341

SCHEMBL7547341

CC(C)CC(C(=O)NC(CC=CCC(NC(=O)Cc1ccccc1)C(=O)O)C(=O)O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.45
▸ ITGB1 P05556 9/20 0.43
▸ ITGA4 P13612 9/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ UTS2R Q9UKP6 1/20 0.41
▸ FPR2 P25090 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ CTSK P43235 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CTSL P07711 1/20 0.39
▸ LMNA P02545 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
SCHEMBL7547339 1.00 CNR2 (0.45) CNR2ITGB1ITGA4MAPK1UTS2R
SCHEMBL7545902 0.94 ITGB1 (0.45) ITGB1ITGA4FPR2CTSL
SCHEMBL7545897 0.94 ITGB1 (0.45) ITGB1ITGA4FPR2CTSL
SCHEMBL7541614 0.92 CNR1 (0.46) CNR2ITGB1ITGA4UTS2RFPR2
SCHEMBL7543424 0.92 ITGB1 (0.43) ITGB1ITGA4FPR2CTSL
SCHEMBL7541611 0.92 CNR1 (0.46) CNR2ITGB1ITGA4UTS2RFPR2
SCHEMBL7543419 0.92 ITGB1 (0.43) ITGB1ITGA4FPR2CTSL
SCHEMBL7541042 0.90 FPR2 (0.51) CNR2ITGB1ITGA4FPR2ALDH1A1
SCHEMBL7541041 0.90 FPR2 (0.51) CNR2ITGB1ITGA4FPR2ALDH1A1
SCHEMBL7539243 0.89 CNR2 (0.45) CNR2ITGB1ITGA4MAPK1UTS2R

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-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 — — EP disclosed
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