SCHEMBL28034000

SCHEMBL28034000

CC=CC(=O)Oc1c(CN)c(OCCC)c(-c2cccc3c2Cc2ccccc2-3)c(OCCC)c1OCCC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.35
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GSTA1 P08263 2/20 0.32
GSTP1 P09211 2/20 0.32
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
HTR2A P28223 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
SCHEMBL28293411 0.93 PNMT (0.32) PNMT
SCHEMBL28033424 0.93 NPC1 (0.33) NPC1RAB9AGSTA1GSTP1
SCHEMBL28033430 0.93 PNMT (0.36) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28033991 0.86 PNMT (0.34) PNMTNPC1RAB9AGSTA1GSTP1
SCHEMBL28293410 0.85 NPC1 (0.30) NPC1RAB9A
SCHEMBL28033968 0.85 PNMT (0.38) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28033425 0.85 NPC1 (0.34) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28293476 0.82 PNMT (0.30) PNMTNPC1RAB9AHTR2A
SCHEMBL28033427 0.79 PNMT (0.36) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28033426 0.79 GSTA1 (0.34) NPC1RAB9AGSTA1GSTP1HTR2A

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
CN-105073807-A Curable resin composition, cured product, and optical article NIPPON STEEL & SUMIKIN CHEM CO 2015-11-18 CN disclosed