SCHEMBL28033451

SCHEMBL28033451

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
HTR1A P08908 1/20 0.40
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37

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
SCHEMBL28033994 0.89 LMNA (0.39) LMNAHTR1ARAB9AKDM4EMAPK1
SCHEMBL28822441 0.88 LMNA (0.38) LMNAHTR1ARAB9AKDM4EMAPK1
SCHEMBL28033965 0.84 RAB9A (0.42) LMNAHTR1ARAB9AKDM4EMAPK1
SCHEMBL27971781 0.80 RAB9A (0.45) RAB9AKDM4EMAPK1ALDH1A1MAPT
SCHEMBL28033483 0.79 RAB9A (0.35) LMNARAB9AKDM4EMAPK1ALDH1A1
SCHEMBL2552437 0.79 RAB9A (0.46) RAB9AKDM4EMAPK1ALDH1A1MAPT
SCHEMBL28033968 0.79 PNMT (0.38) LMNARAB9AKDM4EMAPK1ALDH1A1
SCHEMBL28033429 0.78 GABRP (0.34) RAB9AKDM4EMAPTMEN1KMT2A
SCHEMBL28833131 0.76 RAB9A (0.40) LMNARAB9AKDM4EMAPK1ALDH1A1
SCHEMBL28033426 0.76 GSTA1 (0.34) RAB9ANPC1

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