SCHEMBL7541145

SCHEMBL7541145

CC(C)CC(NC(=O)Cc1ccc(NC(=NC#N)Nc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NC(CN1CCN(CC(NC(=O)CC(C)(C)C)C(=O)O)CC1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.39
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ITGB1 P05556 4/20 0.35
▸ ITGA4 P13612 4/20 0.35
▸ ACE P12821 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ RORC P51449 1/20 0.34
▸ LMNA P02545 2/20 0.33

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
SCHEMBL7541132 0.91 CTSL (0.43) CTSLITGB1ITGA4ACE
SCHEMBL7542750 0.91 CTSL (0.39) CTSLITGB1ITGA4ALDH1A1
SCHEMBL7538913 0.91 CTSL (0.39) CTSLITGB1ITGA4ACE
SCHEMBL7544678 0.90 CTSL (0.39) CTSLMEN1KMT2AACEALDH1A1
SCHEMBL7539575 0.90 CTSL (0.39) CTSLKMT2AITGB1ITGA4ALDH1A1
SCHEMBL7540704 0.90 CTSL (0.39) CTSLMEN1KMT2AITGB1ITGA4
SCHEMBL7538323 0.90 ITGB1 (0.43) MEN1KMT2ASMN1; SMN2ITGB1ITGA4
SCHEMBL7541424 0.89 MMP1 (0.42) CTSLMEN1KMT2AITGB1ITGA4
SCHEMBL7541963 0.88 MEN1 (0.42) CTSLMEN1KMT2AACE
SCHEMBL7538819 0.87 CTSL (0.36) CTSLMEN1KMT2ASMN1; SMN2ITGB1

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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