SCHEMBL9008046

SCHEMBL9008046

Cc1oc(-c2ccccc2)nc1CCC(O)c1ccc(CN2C(=O)CSC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
PPARG P37231 16/20 0.44
PPARA Q07869 11/20 0.44
HRH3 Q9Y5N1 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PPARD Q03181 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
SCHEMBL9008074 0.84 GSK3A (0.41) GSK3AGSK3BPPARGPPARAHRH3
SCHEMBL9008047 0.83 GSK3A (0.46) GSK3AGSK3BPPARGPPARAHRH3
SCHEMBL8650155 0.80 FFAR1 (0.57) GSK3AGSK3BPPARGPPARA
SCHEMBL7877732 0.75 KDM4E (0.50) PPARGPPARAHRH3KDM4EPPARD
SCHEMBL7876023 0.75 KDM4E (0.50) PPARGPPARAHRH3KDM4EPPARD
SCHEMBL7879128 0.74 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL9274342 0.74 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL9286066 0.74 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL7877637 0.74 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL7877640 0.74 PPARG (0.47) 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-5512689-A TREATING A STARTING KETONE WITH A BORANE REDUCING AGENT IN THE PRESENCE OF A CHIRAL OXAZABOROLIDINE CATLAYST, PRODUCT FREE OF ENANTIMERS PFIZER INC. (US) 1996-04-30 US disclosed