SCHEMBL7545860

SCHEMBL7545860

CC(C)CC(NC(=O)Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NC(CC=CCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 6/20 0.42
▸ ITGA4 P13612 6/20 0.42
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ FPR2 P25090 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ CTSL P07711 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MYOC Q99972 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ ANPEP P15144 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7545857 1.00 ITGB1 (0.42) ITGB1ITGA4MEN1KMT2AMAPT
SCHEMBL7540036 0.92 MEN1 (0.39) ITGB1ITGA4MEN1KMT2AMAPT
SCHEMBL7540033 0.92 MEN1 (0.39) ITGB1ITGA4MEN1KMT2AMAPT
SCHEMBL7545888 0.91 MEN1 (0.42) ITGB1ITGA4MEN1KMT2AMAPT
SCHEMBL7542054 0.90 MEN1 (0.41) ITGB1ITGA4MEN1KMT2AMAPT
SCHEMBL7543347 0.90 ACE (0.45) ITGB1ITGA4MEN1KMT2AMAPT
SCHEMBL7546106 0.90 ITGB1 (0.49) ITGB1ITGA4MAPTFPR2CTSL
SCHEMBL7546113 0.90 ITGB1 (0.49) ITGB1ITGA4MAPTFPR2CTSL
SCHEMBL7540159 0.89 ITGB1 (0.46) ITGB1ITGA4MAPTFPR2ANPEP
SCHEMBL7539509 0.89 ITGB1 (0.44) ITGB1ITGA4MAPTFPR2ANPEP

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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