SCHEMBL9067882

SCHEMBL9067882

C=CC(SCC(CO)SC(C=C)c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.36
GSR P00390 1/20 0.31
TRPA1 O75762 2/20 0.31
LMNA P02545 1/20 0.31
SLC6A3 Q01959 1/20 0.30
EPHX1 P07099 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
SCHEMBL9067872 0.84 CYP2C19 (0.32) CYP2C19
SCHEMBL9067800 0.78 CYP2C19 (0.37) CYP2C19LMNASLC6A3
SCHEMBL11520655 0.77 LMNA (0.42) CYP2C19LMNA
SCHEMBL776296 0.75 CYP2C19 (0.36) CYP2C19LMNA
SCHEMBL11424799 0.75 CYP2C19 (0.37) CYP2C19GSRTRPA1LMNASLC6A3
SCHEMBL9153275 0.72 RIPK1 (0.33) CYP2C19LMNASLC6A3
SCHEMBL9068473 0.71 RIPK1 (0.35) CYP2C19TRPA1SLC6A3
SCHEMBL2146152 0.69 CYP2C19 (0.37) CYP2C19SLC6A3
SCHEMBL9068192 0.69 ALDH1A1 (0.42) CYP2C19TRPA1LMNA
SCHEMBL4200755 0.69 SMN1; SMN2 (0.42) CYP2C19SLC6A3EPHX1

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
US-5543482-A Composition for high refractive index lens comprising copolymer of vinylbenzylthio compound and a monomer copolymerizable therewith MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1996-08-06 US claimed
US-5395909-A Composition for high refractive index lens comprising a copolymer of a vinylbenzylthio compound MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1995-03-07 US claimed
US-5543482-A Composition for high refractive index lens comprising copolymer of vinylbenzylthio compound and a monomer copolymerizable therewith MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1996-08-06 US disclosed
US-5395909-A Composition for high refractive index lens comprising a copolymer of a vinylbenzylthio compound MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1995-03-07 US disclosed