SCHEMBL9342710

SCHEMBL9342710

CCc1ccc(C(=S)C=Cc2c(C)cc(C)cc2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALOX5 P09917 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ ABCB1 P08183 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ PLK1 P53350 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ AGTR1 P30556 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL9342389 0.86 SMN1; SMN2 (0.43) SMN1; SMN2ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL9342783 0.84 SMN1; SMN2 (0.39) SMN1; SMN2ALOX5PTGS1PTGS2ABCB1
SCHEMBL10498179 0.84 THRA (0.46) —
SCHEMBL9342426 0.83 PTGS2 (0.44) SMN1; SMN2ALOX5PTGS1PTGS2ABCB1
SCHEMBL9338421 0.82 CYP1A1 (0.45) SMN1; SMN2ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL9778930 0.82 PTGS2 (0.43) SMN1; SMN2ALOX5PTGS1PTGS2ABCB1
SCHEMBL9337966 0.79 ALOX5 (0.41) SMN1; SMN2ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL9341978 0.79 SMN1; SMN2 (0.42) SMN1; SMN2ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL9341522 0.78 ALOX5 (0.49) SMN1; SMN2ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL9342014 0.77 MAOB (0.51) SMN1; SMN2ALOX5PTGS1PTGS2ALDH1A1

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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