Oxirane

Oxirane

SCHEMBL7654719

C1CO1.CC(Cc1ccc(OCCN2c3ccccc3Sc3ccccc32)cc1)C(=O)O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.52
PPARA Q07869 4/20 0.52
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.43
KDM1A O60341 2/20 0.42
BCHE P06276 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
PPARD Q03181 1/20 0.40
POLB P06746 1/20 0.40
ACACB O00763 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 0.95 PPARG (0.54) PPARGPPARAFNTAFNTBALDH1A1
SCHEMBL7652717 0.91 PPARG (0.61) PPARGPPARAFNTAFNTBALDH1A1
SCHEMBL6003664 0.80 PPARG (0.76) PPARGPPARAPPARD
SCHEMBL6003650 0.80 PPARG (0.58) PPARGPPARA
Piperazine SCHEMBL6281879 0.78 PPARG (0.70) PPARGPPARAPPARD
Tert-Butylamine SCHEMBL6277645 0.77 PPARG (0.71) PPARGPPARAPPARD
SCHEMBL6275472 0.76 PPARG (0.66) PPARGPPARAPPARD
Benzylamine SCHEMBL6280999 0.76 PPARG (0.68) PPARGPPARAPPARD
SCHEMBL5434998 0.76 PPARG (0.48) PPARGPPARAFNTAFNTBALDH1A1
SCHEMBL6003721 0.75 PPARG (0.62) PPARGPPARAMAPTPPARD

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