SCHEMBL10497743

SCHEMBL10497743

CCCCCCCCCCCCCCCCCc1ccc(C(=S)C=Cc2cc(C(C)=O)cc(C(C)=O)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 6/20 0.50
▸ THRB P10828 6/20 0.50
▸ ATG4B Q9Y4P1 12/20 0.49
▸ PLA2G1B P04054 10/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL10497573 0.90 THRA (0.52) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10498066 0.90 THRA (0.47) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL9338546 0.84 PTGS2 (0.44) TDP1MEN1KMT2A
SCHEMBL10497532 0.84 THRA (0.52) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10497709 0.84 THRA (0.52) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10498768 0.84 THRA (0.47) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10497344 0.83 THRA (0.51) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10498105 0.83 THRA (0.47) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10497522 0.82 THRA (0.46) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10498670 0.82 THRA (0.46) 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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