SCHEMBL9338074

SCHEMBL9338074

CCc1ccc(C(=S)C=Cc2cc(CC)c(CC)c(CC)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.43
▸ LMNA P02545 5/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ MAOB P27338 3/20 0.41
▸ PTGS2 P35354 3/20 0.39
▸ PTGS1 P23219 2/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TUBB1 Q9H4B7 1/20 0.37
▸ PLK1 P53350 1/20 0.36
▸ AKR1C3 P42330 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TDP1 Q9NUW8 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
SCHEMBL10498105 0.86 THRA (0.47) MEN1KMT2ATDP1RECQL
SCHEMBL9341512 0.85 MAOA (0.46) MAOALMNASMN1; SMN2MAOBPTGS2
SCHEMBL9339818 0.85 MAOA (0.38) MAOALMNASMN1; SMN2MAOBPTGS2
SCHEMBL9342270 0.84 SMN1; SMN2 (0.46) MAOALMNASMN1; SMN2MAOBPTGS2
SCHEMBL9337721 0.83 SMN1; SMN2 (0.39) MAOALMNASMN1; SMN2MAOBPTGS2
SCHEMBL9342014 0.82 MAOB (0.51) MAOALMNASMN1; SMN2MAOBPTGS2
SCHEMBL9342426 0.82 PTGS2 (0.44) MAOALMNASMN1; SMN2MAOBPTGS2
SCHEMBL9337782 0.81 CYP1A1 (0.45) MAOBPTGS2PTGS1ALOX5MAPT
SCHEMBL9338546 0.81 PTGS2 (0.44) MAOALMNASMN1; SMN2MAOBPTGS2
SCHEMBL9341440 0.81 SMN1; SMN2 (0.46) MAOALMNASMN1; SMN2MAOBPTGS2

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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