SCHEMBL9779017

SCHEMBL9779017

CCc1ccc(C(=S)C=Cc2cccc(C)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.48
▸ MAOA P21397 2/20 0.48
▸ ALOX5 P09917 2/20 0.42
▸ PTGS1 P23219 2/20 0.42
▸ PTGS2 P35354 2/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ ALOX12 P18054 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
SCHEMBL9337818 0.88 HDAC4 (0.45) MAOBMAOAALOX5PTGS1PTGS2
SCHEMBL9342426 0.87 PTGS2 (0.44) MAOBMAOAALOX5PTGS1PTGS2
SCHEMBL9342457 0.86 MAOA (0.54) MAOBMAOAALOX5PTGS1PTGS2
SCHEMBL9338665 0.86 SLC6A19 (0.51) MAOBMAOAATMMAPTSMN1; SMN2
SCHEMBL9338586 0.84 NPSR1 (0.48) MAOBMAOAALOX5PTGS1PTGS2
SCHEMBL9338680 0.83 HDAC4 (0.39) MAOBMAOAPTGS1PTGS2NPC1
SCHEMBL9338406 0.83 BCL2 (0.43) PTGS1PTGS2NPC1RAB9AMAPT
SCHEMBL9339939 0.82 MAOB (0.54) MAOBMAOALMNAHTTKDM4E
SCHEMBL9338013 0.82 PTGS2 (0.44) MAOBMAOAPTGS1PTGS2NPC1
SCHEMBL9339925 0.82 HDAC4 (0.41) MAOBMAOANPC1RAB9AATM

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
US-5045239-A Chalcone derivative NIPPON OIL AND FATS CO., LTD. (JP) 1991-09-03 — — US disclosed
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