SCHEMBL7539437

SCHEMBL7539437

CC(C)CC(C(=O)NC(CCOCC(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 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.41
▸ KMT2A Q03164 10/20 0.41
▸ MAPT P10636 5/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MYOC Q99972 2/20 0.41
▸ MAPK1 P28482 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ ACE P12821 1/20 0.35
▸ FPR2 P25090 2/20 0.34
▸ PPIA P62937 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
SCHEMBL7567387 0.91 CTSS (0.34) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL7539259 0.91 CTSS (0.34) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL7541908 0.90 MEN1 (0.44) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL7539416 0.90 GAA (0.40) MAPTMAPK1ALDH1A1GAARAB9A
SCHEMBL7545845 0.90 MAPK1 (0.37) MAPTMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL7541454 0.90 FOLH1 (0.38) MAPTMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL7539003 0.89 MAPK1 (0.38) MAPK1LMNAALDH1A1FPR2
SCHEMBL7539173 0.88 ANPEP (0.46) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7539323 0.88 MEN1 (0.39) MEN1KMT2AMAPTMAPK1LMNA
SCHEMBL7538130 0.87 MEN1 (0.41) 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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