SCHEMBL8662202

SCHEMBL8662202

O=C1SC(Cc2ccccc2)C(=O)N1OCCc1nc(-c2ccccc2)oc1CBr

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.38
PPARA Q07869 16/20 0.38
CYP2C9 P11712 4/20 0.38
CYP3A4 P08684 3/20 0.38
KCNH2 Q12809 2/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL8662204 0.76 POLB (0.39) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL7452152 0.76 FFAR1 (0.53) PPARGPPARACYP3A4
SCHEMBL8662208 0.73 ALDH1A1 (0.37) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL8486705 0.73 PPARG (0.39) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL8523887 0.71 MAPT (0.43) PPARGCYP2C9CYP3A4ALDH1A1KDM4E
SCHEMBL8669167 0.69 KDM4E (0.46) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL6032172 0.69 MAPT (0.53) PPARGCYP2C9CYP3A4ALDH1A1TSHR
SCHEMBL8659791 0.69 MAPT (0.44) PPARGCYP2C9CYP3A4ALDH1A1TSHR
SCHEMBL7452156 0.69 PPARG (0.49) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL8660907 0.68 PPARG (0.53) PPARGCYP2C9CYP3A4KDM4EMAPT

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-5824694-A Thiazolidine derivatives for the treatment of psoriasis BETHESDA PHARMACEUTICALS, INC. (US) 1998-10-20 US disclosed