SCHEMBL7541908

SCHEMBL7541908

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.44
▸ KMT2A Q03164 9/20 0.44
▸ MAPT P10636 4/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ MYOC Q99972 1/20 0.44
▸ PDF Q9HBH1 1/20 0.42
▸ HTT P42858 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ SSTR3 P32745 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ FPR2 P25090 3/20 0.37
▸ ACE P12821 1/20 0.37

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
SCHEMBL7538130 0.91 MEN1 (0.41) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL7539437 0.90 MEN1 (0.41) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL7542125 0.90 ACE (0.43) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL7543904 0.90 ACE (0.43) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL7544683 0.89 MAPT (0.45) MAPTALDH1A1GAALMNAMAPK1
SCHEMBL7546030 0.89 MEN1 (0.42) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL7539988 0.89 PDF (0.38) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL7542294 0.88 MAPK1 (0.41) MAPTHTTSMN1; SMN2ALDH1A1GAA
SCHEMBL7542028 0.88 FOLH1 (0.42) MAPTSMN1; SMN2ALDH1A1GAALMNA
SCHEMBL7539530 0.88 FOLH1 (0.45) MAPTALDH1A1LMNAMAPK1FPR2

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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