SCHEMBL16754145

SCHEMBL16754145

Cc1ccc(CO)c(CO)c1C.OCC1CCCC(CO)C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 3/20 0.34
ADRB2 P07550 1/20 0.33
ESR1 P03372 5/20 0.33
ESR2 Q92731 5/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
EPHX2 P34913 2/20 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
SCHEMBL205613 0.80 PDCD1 (0.36)
SCHEMBL29624183 0.80 PDCD1 (0.36)
SCHEMBL16338752 0.72
Methylamine SCHEMBL28014216 0.70 EPHX2 (0.44) ESR1ESR2CYP3A4CYP2D6CYP2C9
SCHEMBL674422 0.67 ESR1 (0.39) ESR1ESR2CYP3A4CYP2D6CYP2C9
SCHEMBL674423 0.67 ESR1 (0.39) ESR1ESR2CYP3A4CYP2D6CYP2C9
SCHEMBL63504 0.67 ESR1 (0.39) ESR1ESR2CYP3A4CYP2D6CYP2C9
SCHEMBL44806 0.67 ESR1 (0.39) ESR1ESR2CYP3A4CYP2D6CYP2C9
SCHEMBL4729851 0.66 KDM4E (0.38)
SCHEMBL358550 0.66 GABRA1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200301296-A1 EMULSION AGGREGATION PROCESS XEROX CORPORATION 2020-09-24 US disclosed
US-20150153663-A1 Hyperpigmented Glossy EA Toner XEROX CORPORATION (US) 2015-06-04 US disclosed