SCHEMBL9067800

SCHEMBL9067800

C=CC(SCC(O)CSC(C=C)c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.37
LMNA P02545 4/20 0.35
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RIPK1 Q13546 1/20 0.34
ALDH1A1 P00352 2/20 0.33
AOC3 Q16853 3/20 0.32
TSHR P16473 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
GRM7 Q14831 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC6A2 P23975 1/20 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
SCHEMBL11520655 0.87 LMNA (0.42) CYP2C19LMNAKDM4EL3MBTL1RIPK1
SCHEMBL9067882 0.78 CYP2C19 (0.36) CYP2C19LMNASLC6A3
SCHEMBL11424799 0.78 CYP2C19 (0.37) CYP2C19LMNAKDM4EL3MBTL1ALDH1A1
SCHEMBL2146152 0.76 CYP2C19 (0.37) CYP2C19KDM4EALDH1A1TSHRSLC6A4
SCHEMBL4200755 0.76 SMN1; SMN2 (0.42) CYP2C19L3MBTL1TSHRSLC6A4SLC6A3
SCHEMBL9153275 0.75 RIPK1 (0.33) CYP2C19LMNAKDM4EL3MBTL1RIPK1
SCHEMBL9068473 0.74 RIPK1 (0.35) CYP2C19KDM4EL3MBTL1RIPK1ALDH1A1
SCHEMBL776368 0.73 CYP2C19 (0.36) CYP2C19LMNAKDM4EALDH1A1TSHR
SCHEMBL776296 0.73 CYP2C19 (0.36) CYP2C19LMNAKDM4EALDH1A1TSHR
SCHEMBL9067872 0.73 CYP2C19 (0.32) CYP2C19

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