SCHEMBL28033968

SCHEMBL28033968

CC=CC(=O)Oc1c(CN)c(OC)c(-c2cccc3c2Cc2ccccc2-3)c(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.38
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
LMNA P02545 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 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
SCHEMBL28033483 0.91 RAB9A (0.35) PNMTRAB9ANPC1HTR7HTR2B
SCHEMBL28033430 0.87 PNMT (0.36) PNMTRAB9ANPC1HTR7HTR2B
SCHEMBL28822441 0.85 LMNA (0.38) PNMTRAB9ANPC1HTR7HTR2B
SCHEMBL28034000 0.85 PNMT (0.35) PNMTRAB9ANPC1HTR7HTR2B
SCHEMBL28033451 0.79 LMNA (0.42) RAB9ANPC1LMNAKDM4EMEN1
SCHEMBL28033425 0.78 NPC1 (0.34) PNMTRAB9ANPC1HTR7HTR2B
SCHEMBL28033427 0.78 PNMT (0.36) PNMTRAB9ANPC1HTR7HTR2B
SCHEMBL28293411 0.78 PNMT (0.32) PNMT
SCHEMBL28033994 0.77 LMNA (0.39) RAB9ANPC1LMNAKDM4EMEN1
SCHEMBL28033965 0.76 RAB9A (0.42) RAB9ANPC1HTR7HTR2BLMNA

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
CN-109790258-A Solidification compound and solidfied material AGC株式会社 2019-05-21 CN disclosed
CN-105073807-A Curable resin composition, cured product, and optical article NIPPON STEEL & SUMIKIN CHEM CO 2015-11-18 CN disclosed