SCHEMBL2564415

SCHEMBL2564415

CC(=O)OSCc1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
F13A1 P00488 1/20 0.42
CA2 P00918 2/20 0.41
CAMK2A Q9UQM7 1/20 0.41
ESR1 P03372 4/20 0.41
ESR2 Q92731 4/20 0.41
IDO1 P14902 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC7A5 Q01650 1/20 0.39
ALDH1A1 P00352 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
BLM P54132 1/20 0.37
PREP P48147 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
SCHEMBL10519643 0.82 ALDH1A1 (0.52) KDM4EIDO1ALDH1A1
SCHEMBL27714280 0.81 IDO1 (0.50) IDO1
SCHEMBL9195186 0.74 ESR1 (0.48) KDM4ECA2CAMK2AESR1ESR2
SCHEMBL10126371 0.74 IDO1 (0.51) KDM4EF13A1CA2CAMK2AESR1
SCHEMBL126492 0.71 ALDH1A1 (0.69) KDM4EF13A1CA2CAMK2AESR1
SCHEMBL3628062 0.69 NR1H2 (0.42) KDM4ECA2ESR1ESR2MEN1
SCHEMBL13057555 0.69 CA2 (0.46) KDM4EF13A1CA2CAMK2AESR1
SCHEMBL10589402 0.69 ESR1 (0.46) KDM4ECA2ESR1ESR2MEN1
SCHEMBL29271497 0.68 IDO1 (0.52) CA2IDO1MEN1KMT2AALDH1A1
Ethylene Glycol SCHEMBL10441181 0.68 ALDH1A1 (0.37) KDM4EF13A1CA2ESR1ESR2

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
WO-2011131614-A1 SYNTHETIC LUBRICANT COMPOSITION AND USE THEREOF IN ACTIVE DIFFERENTIALS VOLKSWAGEN AG (DE) 2011-10-27 WO disclosed