SCHEMBL9339736

SCHEMBL9339736

CCCCCc1cccc(C=CC(=S)c2ccc(CC)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.44
▸ MEF2D Q14814 1/20 0.44
▸ LPL P06858 2/20 0.42
▸ LIPG Q9Y5X9 2/20 0.42
▸ ATG4B Q9Y4P1 8/20 0.39
▸ PLA2G1B P04054 7/20 0.39
▸ THRA P10827 2/20 0.39
▸ THRB P10828 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ RECQL P46063 1/20 0.39

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
SCHEMBL9342510 0.99 HDAC4 (0.43) HDAC4MEF2DLPLLIPGATG4B
SCHEMBL9338139 0.96 HDAC4 (0.47) HDAC4MEF2DLPLLIPGTHRA
SCHEMBL10498154 0.94 THRA (0.44) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL10497777 0.94 THRA (0.46) HDAC4MEF2DLPLLIPGATG4B
SCHEMBL10498322 0.93 HDAC4 (0.47) HDAC4MEF2DLPLLIPGATG4B
SCHEMBL9338680 0.91 HDAC4 (0.39) HDAC4MEF2DTHRB
SCHEMBL9342497 0.89 HDAC4 (0.43) HDAC4MEF2DLPLLIPGTHRA
SCHEMBL9337818 0.88 HDAC4 (0.45) HDAC4MEF2DTDP1
SCHEMBL9341461 0.85 PLA2G1B (0.47) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL10498768 0.85 THRA (0.47) ATG4BPLA2G1BTHRATHRBCYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0328668-B1 NONLINEAR OPTICAL MATERIAL NIPPON OILS & FATS CO LTD (JP) 1994-05-25 — — EP disclosed
US-5045239-A Chalcone derivative NIPPON OIL AND FATS CO., LTD. (JP) 1991-09-03 — — US disclosed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
EP-0328668-A1 NONLINEAR OPTICAL MATERIAL NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
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