SCHEMBL7017204

SCHEMBL7017204

O=C(O)C(=Cc1ccc(OCCCl)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
NR1H4 Q96RI1 1/20 0.43
PPARA Q07869 5/20 0.42
PKM P14618 1/20 0.39
ALB P02768 1/20 0.38
ALOX5 P09917 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6536139 0.85 TP53 (0.53) TP53NR1H4PPARAPKMALB
SCHEMBL19994224 0.83 TP53 (0.53) TP53NR1H4ALOX5
SCHEMBL6484837 0.83 NR1H4 (0.46) NR1H4
SCHEMBL5607588 0.81 MAPT (0.41) PPARAL3MBTL1
SCHEMBL5607584 0.81 MAPT (0.41) PPARAL3MBTL1
SCHEMBL8413290 0.80 TP53 (0.60) TP53
SCHEMBL5083058 0.80 TP53 (0.60) TP53
SCHEMBL11250951 0.79 NR1H4 (0.55) TP53NR1H4
SCHEMBL5726523 0.79 NR1H4 (0.46) NR1H4PPARAALOX5L3MBTL1
SCHEMBL5726521 0.79 NR1H4 (0.46) NR1H4PPARAALOX5L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252150-B1 HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2003-06-04 EP disclosed
EP-1252150-A1 NOVEL HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2002-10-30 EP disclosed
WO-2001057002-A1 NOVEL HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2001-08-09 WO disclosed