SCHEMBL7652717

SCHEMBL7652717

CC(Cc1ccc(OCCN2c3ccccc3Sc3ccccc32)cc1)C(=O)O.c1ccc2c(c1)O2

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.61
PPARA Q07869 7/20 0.61
PPARD Q03181 2/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL7655631 0.94 PPARG (0.54) PPARGPPARAPPARDFNTAFNTB
Oxirane SCHEMBL7654719 0.91 PPARG (0.52) PPARGPPARAPPARDFNTAFNTB
SCHEMBL6003664 0.80 PPARG (0.76) PPARGPPARAPPARD
SCHEMBL7514537 0.80 PPARG (0.74) PPARGPPARAPPARD
SCHEMBL6003650 0.79 PPARG (0.58) PPARGPPARA
SCHEMBL5345508 0.78 PPARG (0.72) PPARGPPARAPPARD
SCHEMBL6004633 0.78 PPARG (0.72) PPARGPPARAPPARD
SCHEMBL7928584 0.77 PPARG (0.81) PPARGPPARAPPARD
Tert-Butylamine SCHEMBL6277645 0.77 PPARG (0.71) PPARGPPARAPPARD
SCHEMBL6275472 0.76 PPARG (0.66) PPARGPPARAPPARD

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
US-6440961-B1 Tricyclic compounds and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 2002-08-27 US claimed