SCHEMBL9339818

SCHEMBL9339818

CCCc1cc(C=CC(=S)c2ccc(CC)cc2)cc(CCC)c1CCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ LMNA P02545 4/20 0.36
▸ PTGS2 P35354 3/20 0.36
▸ PTGS1 P23219 2/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ MAOB P27338 2/20 0.36
▸ MAPT P10636 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ TUBB1 Q9H4B7 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL10498041 0.87 THRA (0.44) KMT2ATHRBMEN1RECQL
SCHEMBL9338074 0.85 MAOA (0.43) MAOASMN1; SMN2LMNAPTGS2PTGS1
SCHEMBL9342184 0.85 SMN1; SMN2 (0.41) MAOASMN1; SMN2LMNAPTGS2PTGS1
SCHEMBL9341575 0.81 MAOB (0.46) MAOASMN1; SMN2LMNAPTGS2PTGS1
SCHEMBL9342270 0.81 SMN1; SMN2 (0.46) MAOASMN1; SMN2LMNAPTGS2PTGS1
SCHEMBL9342014 0.79 MAOB (0.51) MAOASMN1; SMN2LMNAPTGS2PTGS1
SCHEMBL9338419 0.79 SMN1; SMN2 (0.36) MAOASMN1; SMN2PTGS2PTGS1MAPT
SCHEMBL9343252 0.79 MAOA (0.39) MAOASMN1; SMN2LMNAPTGS2PTGS1
SCHEMBL9341512 0.79 MAOA (0.46) MAOASMN1; SMN2LMNAPTGS2PTGS1
SCHEMBL9342426 0.79 PTGS2 (0.44) MAOASMN1; SMN2LMNAPTGS2PTGS1

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-0328668-A1 NONLINEAR OPTICAL MATERIAL NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
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