SCHEMBL6237463

SCHEMBL6237463

CCC(Oc1ccc(SCc2sc(-c3ccc(Br)cc3)nc2C)cc1C)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.63
PPARA Q07869 16/20 0.63
PPARG P37231 7/20 0.56
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL6239168 0.91 PPARD (0.63) PPARDPPARAPPARGMAPTMEN1
SCHEMBL6239835 0.91 PPARD (0.66) PPARDPPARAPPARGMAPTMEN1
SCHEMBL6242977 0.89 PPARD (0.61) PPARDPPARAPPARGMAPTMEN1
SCHEMBL2167820 0.89 PPARD (0.81) PPARDPPARAPPARGMAPTMEN1
SCHEMBL6234859 0.88 PPARD (0.59) PPARDPPARAPPARGMAPTMEN1
SCHEMBL6242533 0.86 PPARD (0.74) PPARDPPARAPPARGMAPTMEN1
SCHEMBL6236335 0.85 PPARD (0.70) PPARDPPARAPPARGMAPTMEN1
SCHEMBL6234553 0.83 PPARD (0.78) PPARDPPARAPPARGMAPTMEN1
SCHEMBL6259683 0.83 PPARD (0.62) PPARDPPARAPPARGMAPTMEN1
SCHEMBL5511964 0.81 PPARD (0.64) PPARDPPARAPPARGMAPTMEN1

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-1189895-B1 THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2005-06-08 EP claimed