SCHEMBL9342783

SCHEMBL9342783

CCc1ccc(C(=S)C=Cc2cc(C)cc(C)c2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALOX5 P09917 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.33
▸ ABCB1 P08183 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ PLK1 P53350 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ EGFR P00533 1/20 0.30

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
SCHEMBL9337681 0.87 SMN1; SMN2 (0.40) SMN1; SMN2ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL9337966 0.84 ALOX5 (0.41) SMN1; SMN2ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL9338421 0.84 CYP1A1 (0.45) SMN1; SMN2ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL9342710 0.84 SMN1; SMN2 (0.42) SMN1; SMN2ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL9342565 0.82 SMN1; SMN2 (0.40) SMN1; SMN2ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL9341978 0.81 SMN1; SMN2 (0.42) SMN1; SMN2ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL9339663 0.80 SMN1; SMN2 (0.41) SMN1; SMN2ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL9342426 0.80 PTGS2 (0.44) SMN1; SMN2ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL9338556 0.75 SMN1; SMN2 (0.42) SMN1; SMN2ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL9337420 0.75 SMN1; SMN2 (0.42) 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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