SCHEMBL10497463

SCHEMBL10497463

CCCCCCCCCCCCCCCCCc1ccc(C(=S)C=Cc2c(OC)cccc2OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ PPARG P37231 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ THRA P10827 2/20 0.44
▸ THRB P10828 2/20 0.44
▸ ATG4B Q9Y4P1 11/20 0.43
▸ PLA2G1B P04054 9/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ PTGS2 P35354 1/20 0.43

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
SCHEMBL10497544 0.89 THRA (0.43) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10497626 0.88 SMPD1 (0.45) PPARGPPARATHRATHRBATG4B
SCHEMBL10497521 0.88 ABCG2 (0.49) PLK1ABCG2PPARGPPARATHRA
SCHEMBL10497848 0.87 NFE2L2 (0.46) PLK1PPARGPPARATHRATHRB
SCHEMBL10497997 0.86 NFE2L2 (0.49) PLK1PPARGPPARATHRATHRB
SCHEMBL9338183 0.84 ABCG2 (0.54) ABCG2CYP1A2
SCHEMBL10497393 0.84 PPARG (0.44) PPARGPPARATHRATHRBATG4B
SCHEMBL10497407 0.84 PLK1 (0.48) PLK1THRATHRBATG4BPLA2G1B
SCHEMBL10498051 0.84 THRA (0.47) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10497791 0.82 PLK1 (0.46) PLK1THRATHRBATG4BPLA2G1B

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
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
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