SCHEMBL7548231

SCHEMBL7548231

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ ITGB1 P05556 9/20 0.39
▸ ITGA4 P13612 9/20 0.39
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ ACE P12821 1/20 0.38
▸ CTSL P07711 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MYOC Q99972 1/20 0.36

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
SCHEMBL7542159 1.00 MEN1 (0.39) MEN1KMT2AITGB1ITGA4MAPT
SCHEMBL7540038 0.92 CTSL (0.37) MEN1KMT2AITGB1ITGA4MAPT
SCHEMBL7540048 0.92 CTSL (0.37) MEN1KMT2AITGB1ITGA4MAPT
SCHEMBL7541935 0.92 CTSL (0.37) MEN1KMT2AITGB1ITGA4MAPT
SCHEMBL7545888 0.91 MEN1 (0.42) MEN1KMT2AITGB1ITGA4MAPT
SCHEMBL7545718 0.90 ITGB1 (0.45) ITGB1ITGA4MAPT
SCHEMBL7541296 0.90 ITGB1 (0.45) ITGB1ITGA4MAPT
SCHEMBL7538819 0.90 CTSL (0.36) MEN1KMT2AITGB1ITGA4MAPT
SCHEMBL7547298 0.90 ITGB1 (0.42) ITGB1ITGA4MAPT
SCHEMBL7544936 0.90 ITGB1 (0.41) ITGB1ITGA4MAPT

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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