SCHEMBL4965701

SCHEMBL4965701

CCCc1cc(Cc2c(C)cc(O)cc2C)ccc1COCOC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.38
THRB P10828 7/20 0.38
ALOX5 P09917 6/20 0.33
OPRK1 P41145 3/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
HMGCR P04035 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL4189061 0.82 THRB (0.40) THRATHRBALOX5OPRK1OPRM1
SCHEMBL282233 0.80 THRB (0.45) THRATHRBOPRK1
SCHEMBL4961165 0.75 HTT (0.45) THRATHRBALOX5OPRK1OPRM1
SCHEMBL282633 0.74 THRA (0.47) THRATHRBOPRK1OPRM1OPRD1
SCHEMBL282289 0.70 THRA (0.42) THRATHRBOPRK1OPRM1OPRD1
SCHEMBL282611 0.70 THRA (0.48) THRATHRBOPRK1OPRM1OPRD1
SCHEMBL282562 0.70 THRB (0.50) THRATHRB
SCHEMBL282333 0.69 CALM1 (0.45) THRATHRBOPRK1OPRM1OPRD1
SCHEMBL282460 0.69 OPRK1 (0.48) THRATHRBOPRK1OPRM1OPRD1
SCHEMBL3155899 0.68 OPRK1 (0.39) THRATHRBOPRK1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1890768-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
WO-2006128056-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO disclosed