SCHEMBL6765878

SCHEMBL6765878

COc1ccc(Oc2c(Cl)cc(CN)cc2Cl)cc1SC(C)C

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 14/20 0.52
RORC P51449 6/20 0.52
CSNK2A1 P68400 4/20 0.41
THRA P10827 9/20 0.37

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
SCHEMBL6769194 0.78 THRB (0.42) THRBRORC
SCHEMBL7521261 0.76 THRB (0.49) THRBRORCCSNK2A1THRA
SCHEMBL6775732 0.75 RORC (0.54) THRBRORCTHRA
SCHEMBL281885 0.69 THRB (0.79) THRBRORCTHRA
SCHEMBL23663209 0.69 THRB (0.43) THRBRORCTHRA
SCHEMBL7069261 0.68 THRB (0.77) THRBRORCTHRA
SCHEMBL282442 0.68 THRB (1.00) THRBRORCTHRA
SCHEMBL6775887 0.67 THRB (0.36) THRB
SCHEMBL6943761 0.67 KDM4E (0.48) CSNK2A1
SCHEMBL6769171 0.66 THRB (0.31) THRBRORC

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-6723717-B1 CARDIAC-SPARING; SIDE EFFECT REDUCTION THE UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER 2004-04-20 US disclosed