SCHEMBL7538130

SCHEMBL7538130

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.41
▸ KMT2A Q03164 10/20 0.41
▸ MAPT P10636 4/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MYOC Q99972 1/20 0.41
▸ HTT P42858 5/20 0.36
▸ LMNA P02545 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ ACE P12821 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ FPR2 P25090 3/20 0.35
▸ POLB P06746 1/20 0.34
▸ PDF Q9HBH1 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
SCHEMBL7541908 0.91 MEN1 (0.44) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL7541941 0.90 GAA (0.41) MAPTLMNAALDH1A1GAAMAPK1
SCHEMBL7563464 0.90 CTSS (0.34) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL7573584 0.90 CTSS (0.34) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL7541860 0.89 FOLH1 (0.39) MAPTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL7541062 0.89 FOLH1 (0.39) MAPTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL7541814 0.89 MAPK1 (0.38) MAPTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL7545836 0.89 MAPK1 (0.39) LMNAALDH1A1MAPK1FPR2
SCHEMBL7542492 0.89 MAPK1 (0.39) LMNAALDH1A1MAPK1FPR2
SCHEMBL7548231 0.88 MEN1 (0.39) MEN1KMT2AMAPTNPSR1MYOC

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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