SCHEMBL7543904

SCHEMBL7543904

CC(C)CC(C(=O)NC(CSCCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.43
▸ MEN1 O00255 7/20 0.41
▸ KMT2A Q03164 7/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MYOC Q99972 1/20 0.41
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ HTT P42858 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ FCER2 P06734 1/20 0.36
▸ FPR2 P25090 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ FNTA P49354 2/20 0.35
▸ FNTB P49356 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL7542125 1.00 ACE (0.43) ACEMEN1KMT2AMAPTNPSR1
SCHEMBL7542063 0.90 GAA (0.40) ACEMAPTNPSR1FPR2SMN1; SMN2
SCHEMBL7544141 0.90 GAA (0.40) ACEMAPTNPSR1FPR2SMN1; SMN2
SCHEMBL7541908 0.90 MEN1 (0.44) ACEMEN1KMT2AMAPTNPSR1
SCHEMBL7565475 0.90 ACE (0.39) ACEMEN1KMT2AMAPTNPSR1
SCHEMBL7539858 0.90 ACE (0.39) ACEMAPTLMNAFPR2SMN1; SMN2
SCHEMBL7545839 0.90 ACE (0.39) ACEMAPTLMNAFPR2SMN1; SMN2
SCHEMBL7538838 0.90 FPR2 (0.38) ACEMAPTNPSR1LMNAFPR2
SCHEMBL7541658 0.90 FPR2 (0.38) ACEMAPTNPSR1LMNAFPR2
SCHEMBL7542841 0.89 ACE (0.40) ACEPPARGPPARALMNAFPR2

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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