SCHEMBL116997

SCHEMBL116997

C=COC(=O)CCOC(=O)/C=C/c1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.52
AKR1B10 O60218 6/20 0.50
AKR1B1 P15121 6/20 0.50
MAOB P27338 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CA12 O43570 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
LMNA P02545 2/20 0.46
EGFR P00533 2/20 0.45
ERBB2 P04626 2/20 0.45
HDAC2 Q92769 1/20 0.44
APP P05067 3/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL13899909 0.82 HDAC2 (0.56) MGLLAKR1B10AKR1B1MAOBKMT2A
SCHEMBL19244228 0.78 APP (0.61) MGLLAKR1B10AKR1B1MAOBMEN1
SCHEMBL11635406 0.78 LMNA (0.56) AKR1B10AKR1B1MEN1KMT2ACA12
SCHEMBL11635403 0.78 LMNA (0.56) AKR1B10AKR1B1MEN1KMT2ACA12
SCHEMBL19244229 0.78 APP (0.61) MGLLAKR1B10AKR1B1MAOBMEN1
SCHEMBL4623248 0.76 APP (0.63) MGLLAKR1B10AKR1B1MAOBLMNA
SCHEMBL4623247 0.76 APP (0.63) MGLLAKR1B10AKR1B1MAOBLMNA
SCHEMBL9880793 0.75 AKR1B10 (0.55) MGLLAKR1B10AKR1B1MAOBMEN1
SCHEMBL8992226 0.75 ATM (0.42) ALDH1A1CYP3A4HSD17B10MAPTHPGD
SCHEMBL4752149 0.75 CA12 (0.69) MGLLAKR1B10AKR1B1MAOBCA12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8733919-B2 Active energy ray-curable ink composition, inkjet recording method, and inkjet printed article FUJIFILM CORPORATION (JP) 2014-05-27 US disclosed
US-8733919-B2 Active energy ray-curable ink composition, inkjet recording method, and inkjet printed article FUJIFILM CORPORATION (JP) 2014-05-27 US disclosed
US-20120056930-A1 ACTIVE ENERGY RAY-CURABLE INK COMPOSITION, INKJET RECORDING METHOD, AND INKJET PRINTED ARTICLE FUJIFILM CORPORATION (JP) 2012-03-08 US disclosed
US-20120056930-A1 ACTIVE ENERGY RAY-CURABLE INK COMPOSITION, INKJET RECORDING METHOD, AND INKJET PRINTED ARTICLE FUJIFILM CORPORATION (JP) 2012-03-08 US disclosed