SCHEMBL9342389

SCHEMBL9342389

CCc1ccc(C(=S)C=Cc2c(C)cccc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ PTGS1 P23219 2/20 0.37
▸ PTGS2 P35354 2/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ LMNA P02545 5/20 0.35
▸ PLK1 P53350 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ HTT P42858 5/20 0.33
▸ MAPT P10636 4/20 0.33
▸ POLB P06746 2/20 0.33
▸ ALOX12 P18054 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ TAOK1 Q7L7X3 1/20 0.33
▸ TAOK3 Q9H2K8 1/20 0.33
▸ PSMD14 O00487 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MAOA P21397 2/20 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
SCHEMBL9342710 0.86 SMN1; SMN2 (0.42) SMN1; SMN2PTGS1PTGS2ALOX5ALDH1A1
SCHEMBL9342565 0.84 SMN1; SMN2 (0.40) SMN1; SMN2PTGS1PTGS2ALOX5ALDH1A1
SCHEMBL10498051 0.83 THRA (0.47) MEN1KMT2ATDP1
SCHEMBL9338183 0.81 ABCG2 (0.54) SMN1; SMN2MAPTMAOAMEN1KMT2A
SCHEMBL9778930 0.80 PTGS2 (0.43) SMN1; SMN2PTGS1PTGS2ALOX5ALDH1A1
SCHEMBL9342014 0.78 MAOB (0.51) SMN1; SMN2PTGS1PTGS2ALOX5ALDH1A1
SCHEMBL9779017 0.78 MAOB (0.48) SMN1; SMN2PTGS1PTGS2ALOX5ALDH1A1
SCHEMBL9341978 0.77 SMN1; SMN2 (0.42) SMN1; SMN2PTGS1PTGS2ALOX5ALDH1A1
SCHEMBL9337818 0.77 HDAC4 (0.45) SMN1; SMN2PTGS1PTGS2ALOX5ALDH1A1
SCHEMBL9337757 0.77 SMN1; SMN2 (0.42) SMN1; SMN2PTGS2ALDH1A1LMNAPLK1

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 3 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
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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