SCHEMBL1122636

SCHEMBL1122636

CCOC(=O)CN(Cc1cccc(OCc2ccccc2)c1)C(=O)c1cccc(OCCN(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.50
KMT2A Q03164 1/20 0.48
PTGES O14684 1/20 0.48
MAOB P27338 2/20 0.46
NR4A2 P43354 1/20 0.45
SLC2A1 P11166 3/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
SLC2A4 P14672 1/20 0.44
MEP1B Q16820 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1123324 0.93 LPAR1 (0.46) KMT2APTGESMAOBSLC2A1PPARG
SCHEMBL1123023 0.91 MAOB (0.53) BCHEKMT2APTGESMAOBNR4A2
SCHEMBL1123181 0.90 LPAR1 (0.49) KMT2AMAOBSLC2A1PPARGPPARA
SCHEMBL1122914 0.89 KMT2A (0.51) BCHEKMT2APTGESMAOBNR4A2
SCHEMBL1122799 0.88 L3MBTL1 (0.53) BCHEKMT2ANPC1LMNARAB9A
SCHEMBL1123467 0.88 NPC1 (0.55) BCHEKMT2APTGESMAOBNR4A2
SCHEMBL1123052 0.88 NR4A1 (0.45) KMT2AMAOBNR4A2SLC2A1NPC1
SCHEMBL1123230 0.86 LPAR1 (0.48) PTGESMAOBSLC2A1PPARGPPARA
SCHEMBL1123229 0.85 SLC2A1 (0.55) BCHEKMT2APTGESSLC2A1SLC2A4
SCHEMBL1123557 0.84 PTGES (0.52) BCHEKMT2APTGESMAOBNR4A2

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-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed