SCHEMBL28033965

SCHEMBL28033965

CC=CC(=O)Oc1ccc(-c2cccc3c2Cc2ccccc2-3)c(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.38
PTGS2 P35354 2/20 0.38
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
ALOX12 P18054 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PLA2G1B P04054 1/20 0.34

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
SCHEMBL28033451 0.84 LMNA (0.42) RAB9AALDH1A1MAPTKDM4ENPC1
SCHEMBL27971781 0.84 RAB9A (0.45) RAB9AALDH1A1MAPTKDM4ENPC1
SCHEMBL2552437 0.83 RAB9A (0.46) RAB9AALDH1A1MAPTKDM4ENPC1
SCHEMBL28833131 0.81 RAB9A (0.40) RAB9AALDH1A1MAPTKDM4ENPC1
SCHEMBL28101703 0.79 RAB9A (0.38) RAB9AALDH1A1MAPTKDM4ENPC1
SCHEMBL28033994 0.78 LMNA (0.39) RAB9AALDH1A1MAPTKDM4ENPC1
SCHEMBL27971914 0.78 RAB9A (0.38) RAB9AALDH1A1MAPTKDM4ENPC1
SCHEMBL28822441 0.77 LMNA (0.38) RAB9AALDH1A1MAPTKDM4ENPC1
SCHEMBL27862496 0.77 NPC1 (0.43) RAB9AALDH1A1MAPTKDM4ENPC1
SCHEMBL28033447 0.77 RAB9A (0.37) RAB9AALDH1A1MAPTKDM4ENPC1

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