SCHEMBL10487302

SCHEMBL10487302

CCCCc1ccccc1OP(Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 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
SCHEMBL10487304 0.85 THRA (0.42) THRATHRBALOX5PTGS2
SCHEMBL10815786 0.84 THRA (0.41) THRATHRBALOX5PTGS2
SCHEMBL10815784 0.84 THRA (0.41) THRATHRBALOX5PTGS2
SCHEMBL10487305 0.84 THRA (0.43) THRATHRBALOX5PTGS2
SCHEMBL29000694 0.83 THRA (0.39) THRATHRBALOX5PTGS2
SCHEMBL29000676 0.83 THRA (0.39) THRATHRBALOX5PTGS2
SCHEMBL10487314 0.82 THRA (0.41) THRATHRBALOX5PTGS2CYP3A4
SCHEMBL10816668 0.82 THRA (0.41) THRATHRBALOX5PTGS2CYP3A4
SCHEMBL11061944 0.81 ALDH1A1 (0.36) CYP2D6
SCHEMBL268679 0.80 THRA (0.50) THRATHRBALOX5PTGS2CYP3A4

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-4814367-A DISCOLORATION INHIBITION ARGUS CHEMICAL CORPORATION (US) 1989-03-21 US disclosed