SCHEMBL7023628

SCHEMBL7023628

O=C(O)C=Cc1ccc(OCCn2c(=O)sc3cc(C(=O)c4ccccc4)ccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.64
SIGMAR1 Q99720 1/20 0.55
PPARA Q07869 13/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.47
SRD5A2 P31213 1/20 0.47

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
SCHEMBL7023625 1.00 PPARG (0.64) PPARGSIGMAR1PPARANPC1RAB9A
SCHEMBL6483928 0.91 PPARG (0.68) PPARGSIGMAR1PPARANPC1RAB9A
SCHEMBL6483931 0.91 PPARG (0.68) PPARGSIGMAR1PPARANPC1RAB9A
SCHEMBL6476081 0.89 PPARG (0.67) PPARGSIGMAR1PPARANPC1RAB9A
SCHEMBL6477169 0.87 PPARG (0.64) PPARGSIGMAR1PPARANPC1RAB9A
SCHEMBL6476868 0.86 RAB9A (0.70) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL6476872 0.86 RAB9A (0.70) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL5913753 0.84 PPARG (0.61) PPARGSIGMAR1PPARANPC1RAB9A
SCHEMBL5913749 0.84 PPARG (0.61) PPARGSIGMAR1PPARANPC1RAB9A
SCHEMBL6487134 0.84 PPARG (0.68) PPARGSIGMAR1PPARANPC1RAB9A

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-1252150-B1 HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2003-06-04 EP disclosed