SCHEMBL7841990

SCHEMBL7841990

COC(OC)c1ccc(CCO)nc1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
PPARG P37231 1/20 0.32

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
SCHEMBL20332457 0.80 ESR1 (0.42) ESR1ESR2PPARG
SCHEMBL2655434 0.80 FFAR1 (0.35) ESR1ESR2PPARG
SCHEMBL7839995 0.76 ESR1 (0.35) ESR1ESR2PPARG
SCHEMBL30467048 0.76 ESR1 (0.35) ESR1ESR2PPARG
SCHEMBL25253178 0.73 PTGS2 (0.40)
SCHEMBL28312128 0.72 CYP4A11 (0.48)
SCHEMBL30467054 0.71 ESR1 (0.33) ESR1ESR2PPARG
SCHEMBL30467049 0.71 ESR1 (0.33) ESR1ESR2PPARG
SCHEMBL20332538 0.71 ESR1 (0.33) ESR1ESR2PPARG
SCHEMBL29694640 0.70 ESR1 (0.40) ESR1ESR2PPARG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579733-B1 THIAZOLIDINEDIONE DERIVATIVES, PRODUCTION AND USE THEREOF UPJOHN CO (US) 2001-06-20 EP disclosed
US-5441971-A Antidiabetic agents THE UPJOHN COMPANY (US) 1995-08-15 US disclosed
EP-0579733-A1 THIAZOLIDINEDIONE DERIVATIVES, PRODUCTION AND USE THEREOF PHARMACIA & UPJOHN COMPANY (US) 1994-01-26 EP disclosed
WO-1992018501-A1 THIAZOLIDINEDIONE DERIVATIVES, PRODUCTION AND USE THEREOF THE UPJOHN COMPANY (US) 1992-10-29 WO disclosed