SCHEMBL28833131

SCHEMBL28833131

CC=CC(=O)Oc1ccc(-c2cccc3c2Cc2ccccc2-3)cc1OC(=O)C=CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
HTR2B P41595 3/20 0.35
HTR7 P34969 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
MAPK1 P28482 1/20 0.34
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PNMT P11086 1/20 0.33
GAPDH P04406 1/20 0.32
CYP1A2 P05177 2/20 0.32
HTR2C P28335 2/20 0.32
ADRA2A P08913 1/20 0.32

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
SCHEMBL28101703 0.91 RAB9A (0.38) RAB9ANPC1KDM4EMEN1ALDH1A1
SCHEMBL28033447 0.89 RAB9A (0.37) RAB9ANPC1KDM4EMEN1ALDH1A1
SCHEMBL27971918 0.87 PNMT (0.44) RAB9ANPC1KDM4EMEN1ALDH1A1
SCHEMBL27862496 0.85 NPC1 (0.43) RAB9ANPC1KDM4EMEN1ALDH1A1
SCHEMBL27971781 0.85 RAB9A (0.45) RAB9ANPC1KDM4EMEN1ALDH1A1
SCHEMBL2552437 0.84 RAB9A (0.46) RAB9ANPC1KDM4EMEN1ALDH1A1
SCHEMBL28033965 0.81 RAB9A (0.42) RAB9ANPC1KDM4EMEN1ALDH1A1
SCHEMBL27971914 0.79 RAB9A (0.38) RAB9ANPC1KDM4EMEN1ALDH1A1
SCHEMBL12701197 0.79 TYMS (0.39) RAB9ANPC1KDM4EMEN1ALDH1A1
SCHEMBL28249633 0.78 PNMT (0.39) RAB9ANPC1KDM4EMEN1ALDH1A1

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-103890018-B Polyfunctional (meth) acrylate having fluorene skeleton and curable composition thereof 大阪燃气化学有限公司 2016-08-17 CN disclosed