SCHEMBL9853832

SCHEMBL9853832

CSc1ccc(OC(=O)OCc2cccc3c2Cc2ccccc2-3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HTR2B P41595 2/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ALDH1A1 P00352 5/20 0.32
▸ LMNA P02545 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ MAPT P10636 5/20 0.32
▸ MEN1 O00255 3/20 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
SCHEMBL1830397 0.82 PNMT (0.57) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL7699409 0.79 PNMT (0.54) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL14975286 0.77 PNMT (0.51) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL425742 0.77 PNMT (0.58) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL8473291 0.77 PNMT (0.54) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL29892750 0.77 PNMT (0.58) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL9355644 0.76 ALDH1A1 (0.48) FFAR1FFAR4NPC1RAB9AALDH1A1
SCHEMBL7699410 0.76 PNMT (0.50) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL5188476 0.76 RAB9A (0.40) PNMTNPC1RAB9AALDH1A1GAA
SCHEMBL1830400 0.75 PNMT (0.55) PNMTNPC1RAB9AHTR2BHTR7

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
EP-0406567-A2 Process for the production of sulfonium compounds and novel methylthiophenol derivatives MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-01-09 — — EP disclosed
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