SCHEMBL10497573

SCHEMBL10497573

CCCCCCCCCCCCCCCCCc1ccc(C(=S)C=Cc2ccc(C(C)=O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 6/20 0.52
▸ THRB P10828 6/20 0.52
▸ ATG4B Q9Y4P1 11/20 0.51
▸ PLA2G1B P04054 10/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TRPA1 O75762 1/20 0.49
▸ TRPM2 O94759 1/20 0.49
▸ TRPM8 Q7Z2W7 1/20 0.49
▸ CYSLTR2 Q9NS75 1/20 0.49
▸ CYSLTR1 Q9Y271 1/20 0.49

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
SCHEMBL10497709 0.92 THRA (0.52) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10497532 0.92 THRA (0.52) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10497344 0.91 THRA (0.51) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10497743 0.90 THRA (0.50) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL9338240 0.88 THRA (0.49) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10498066 0.87 THRA (0.47) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10497816 0.87 ESR1 (0.59) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL9341461 0.87 PLA2G1B (0.47) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10497528 0.86 THRA (0.47) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL9338032 0.86 THRA (0.47) 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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