SCHEMBL10497544

SCHEMBL10497544

CCCCCCCCCCCCCCCCCCCc1ccc(C(=S)C=Cc2c(OCC)cccc2OCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 5/20 0.43
▸ THRB P10828 5/20 0.43
▸ ATG4B Q9Y4P1 12/20 0.42
▸ PLA2G1B P04054 10/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL9337948 0.90 HSD17B10 (0.42) THRBTDP1KMT2A
SCHEMBL10497463 0.89 PLK1 (0.48) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10498051 0.83 THRA (0.47) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10497407 0.83 PLK1 (0.48) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10497791 0.81 PLK1 (0.46) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10497748 0.81 THRA (0.43) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10497826 0.81 THRA (0.43) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10497521 0.80 ABCG2 (0.49) THRATHRBATG4BPLA2G1B
SCHEMBL10498782 0.80 MAOB (0.52) MEN1KMT2A
SCHEMBL10497344 0.79 THRA (0.51) THRATHRBATG4BPLA2G1BCYP1A2

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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