SCHEMBL9778709

SCHEMBL9778709

Cc1ccc(SCCOc2ccc(C3SCCS3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.52
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ LMNA P02545 6/20 0.43
▸ DRD2 P14416 2/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ DRD3 P35462 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ AR P10275 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ HIF1A Q16665 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9778699 0.87 MAPT (0.60) MAPTLMNADRD2DRD4ALDH1A1
SCHEMBL9778940 0.86 MAPT (0.52) MAPTNPC1RAB9ALMNADRD2
SCHEMBL9778765 0.86 ALDH1A1 (0.45) MAPTNPC1RAB9ALMNADRD2
SCHEMBL9778731 0.84 MAPT (0.43) MAPTNPC1RAB9ALMNADRD2
SCHEMBL9778636 0.81 MAPT (0.54) MAPTLMNADRD2DRD4ALDH1A1
SCHEMBL9778600 0.80 MAPT (0.54) MAPTNPC1RAB9ALMNADRD2
SCHEMBL9778647 0.80 ALDH1A1 (0.47) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL9778677 0.77 MAPT (0.56) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL10345823 0.76 LMNA (0.55) MAPTNPC1RAB9ALMNADRD2
SCHEMBL9768860 0.76 NPC1 (0.58) MAPTNPC1RAB9ALMNADRD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 — — US disclosed
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