SCHEMBL9049034

SCHEMBL9049034

CCC(OC(N)=O)C(C)(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
KCNH2 Q12809 2/20 0.44
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
KIF11 P52732 4/20 0.39
CYP2D6 P10635 3/20 0.38
CYP1A2 P05177 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
LMNA P02545 1/20 0.36
KCNN4 O15554 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL4589967 0.82 HTT (0.44) MAPTKMT2AKCNH2CYP2C19HIF1A
SCHEMBL2969422 0.78 MAPT (0.48) MAPTKMT2AKCNH2CYP2C19HIF1A
SCHEMBL1829558 0.75 MAPT (0.48) MAPTKMT2AKCNH2CYP2C19HIF1A
SCHEMBL20416250 0.73 LMNA (0.41) MAPTCHRM2CHRM1CHRM3CHRM4
SCHEMBL28652308 0.72 SRR (0.45) CYP1A2PKMLMNA
SCHEMBL22115533 0.71 MAPT (0.33) MAPTKMT2AKCNH2CYP2C19KIF11
SCHEMBL28356018 0.71 SRR (0.44) CYP1A2PKMLMNA
SCHEMBL28356022 0.71 SRR (0.44) CYP1A2PKMLMNA
SCHEMBL9305616 0.71 SRR (0.47) HIF1ACYP1A2SMN1; SMN2PKMLMNA
SCHEMBL4377967 0.70 CYP2C19 (0.46) MAPTKMT2AKCNH2CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0385456-B1 High surface hardness transparent resin and polymerizable monomer MITSUI TOATSU CHEMICALS (JP) 1996-09-04 EP disclosed
US-5084538-A HIGH SURFACE HARDNESS TRANSPARENT RESIN PREPARED FROM A COMPOUND HAVING AT LEAST ONE ISOPROPENYL PHENYL GROUP MITSUI TOATSU CHEMICALS, INC. (JP) 1992-01-28 US disclosed