SCHEMBL9338139

SCHEMBL9338139

CCCCc1cccc(C=CC(=S)c2ccc(CC)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 2/20 0.47
▸ MEF2D Q14814 2/20 0.47
▸ LPL P06858 2/20 0.37
▸ LIPG Q9Y5X9 2/20 0.37
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PTGS2 P35354 1/20 0.35
▸ NAMPT P43490 1/20 0.35

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
SCHEMBL9339736 0.96 HDAC4 (0.44) HDAC4MEF2DLPLLIPGTHRA
SCHEMBL9342510 0.95 HDAC4 (0.43) HDAC4MEF2DLPLLIPGTHRA
SCHEMBL9338680 0.92 HDAC4 (0.39) HDAC4MEF2DTHRBSMN1; SMN2ALDH1A1
SCHEMBL10498322 0.91 HDAC4 (0.47) HDAC4MEF2DLPLLIPGTHRA
SCHEMBL10498154 0.90 THRA (0.44) THRATHRB
SCHEMBL10497777 0.90 THRA (0.46) HDAC4MEF2DLPLLIPGTHRA
SCHEMBL9337818 0.89 HDAC4 (0.45) HDAC4MEF2DSMN1; SMN2ALDH1A1PTGS2
SCHEMBL9342772 0.85 THRA (0.44) THRATHRBSMN1; SMN2
SCHEMBL9342497 0.85 HDAC4 (0.43) HDAC4MEF2DLPLLIPGTHRA
SCHEMBL10498348 0.84 CYP1A2 (0.44) HDAC4MEF2DTHRATHRBSMN1; SMN2

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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