SCHEMBL9338523

SCHEMBL9338523

CCCc1ccc(C(=S)C=Cc2cccc(OCC)c2OCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ ATM Q13315 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ USP2 O75604 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPC1 O15118 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ ALOX5 P09917 2/20 0.36
▸ PTGES O14684 1/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NFE2L2 Q16236 2/20 0.35
▸ PKM P14618 1/20 0.34

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
SCHEMBL9338379 0.89 NPSR1 (0.35) MAPTATMSMN1; SMN2LMNAUSP2
SCHEMBL9337948 0.85 HSD17B10 (0.42) MAPTATMSMN1; SMN2LMNAUSP2
SCHEMBL9338473 0.84 CYP1A1 (0.37) MAPTATMSMN1; SMN2LMNAUSP2
SCHEMBL9342353 0.81 AR (0.44) MAPTATMSMN1; SMN2LMNAUSP2
SCHEMBL9337865 0.81 POLB (0.37) MAPTATMSMN1; SMN2LMNAUSP2
SCHEMBL9338126 0.81 SMN1; SMN2 (0.43) MAPTATMSMN1; SMN2LMNAUSP2
SCHEMBL9339766 0.80 LMNA (0.42) MAPTATMSMN1; SMN2LMNANPC1
SCHEMBL9342213 0.79 SMN1; SMN2 (0.54) MAPTATMSMN1; SMN2LMNANPSR1
SCHEMBL9337765 0.79 LMNA (0.41) MAPTATMSMN1; SMN2LMNAKMT2A
SCHEMBL9338690 0.79 LMNA (0.41) MAPTATMSMN1; SMN2LMNAKMT2A

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
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
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