SCHEMBL11894615

SCHEMBL11894615

CC(=O)Oc1ccc(C)cc1Oc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 1/20 0.53
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 2/20 0.46
PGR P06401 1/20 0.46
PTGS1 P23219 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.44
MAOB P27338 1/20 0.44
IDO1 P14902 2/20 0.43
LMNA P02545 1/20 0.43
NCEH1 Q6PIU2 1/20 0.43
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL6203652 0.87 ALDH1A1 (0.54) ESRRAALDH1A1HSD17B10GAAPGR
Alpha-Naphthylacetate SCHEMBL76633 0.80 ALDH1A1 (0.66) ALDH1A1HSD17B10GAAPGRPTGS1
Alpha-Naphthylacetate SCHEMBL29372782 0.80 ALDH1A1 (0.66) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL8399022 0.79 LMNA (0.50) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL26036680 0.79 MAOB (0.50) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL11894613 0.79 NPC1 (0.46) ALDH1A1GAAMAPK1RAB9ANPC1
Alpha-Naphthylacetate SCHEMBL11320989 0.78 ALDH1A1 (0.64) ALDH1A1HSD17B10GAAPGRPTGS1
Alpha-Naphthylacetate SCHEMBL15903555 0.78 ALDH1A1 (0.64) ALDH1A1HSD17B10GAAPGRPTGS1
Alpha-Naphthylacetate SCHEMBL14715837 0.78 ALDH1A1 (0.64) ALDH1A1HSD17B10GAAPGRPTGS1
Alpha-Naphthylacetate SCHEMBL10751537 0.78 ALDH1A1 (0.64) ALDH1A1HSD17B10GAAPGRPTGS1

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
US-20120192740-A1 FOUNTAIN SOLUTION COMPOSITION FOR LITHOGRAPHIC PRINTING PLATE AND LITHOGRAPHIC PRINTING METHOD MITSUBISHI PAPER MILLS LIMITED (JP) 2012-08-02 US disclosed