SCHEMBL10497777

SCHEMBL10497777

CCCCCCCCCCCCCCCc1ccc(C(=S)C=Cc2cccc(CCCCC)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 2/20 0.46
▸ THRB P10828 2/20 0.46
▸ ATG4B Q9Y4P1 11/20 0.45
▸ PLA2G1B P04054 9/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ MEF2D Q14814 1/20 0.45
▸ LPL P06858 1/20 0.45
▸ LIPG Q9Y5X9 1/20 0.45

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
SCHEMBL10498322 0.99 HDAC4 (0.47) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL9342510 0.95 HDAC4 (0.43) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10498154 0.95 THRA (0.44) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL9339736 0.94 HDAC4 (0.44) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL9342497 0.93 HDAC4 (0.43) THRATHRBHDAC4MEF2DLPL
SCHEMBL10498288 0.90 SLC6A19 (0.45) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10497836 0.90 P4HB (0.47) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL9338139 0.90 HDAC4 (0.47) THRATHRBHDAC4MEF2DLPL
SCHEMBL10497663 0.89 THRA (0.43) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10497705 0.89 THRA (0.44) 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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