SCHEMBL19664385

SCHEMBL19664385

CCOC(=O)Oc1ccc(OC(=O)OCC)nc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MAPT P10636 2/20 0.42
CA2 P00918 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
ACACB O00763 7/20 0.38
ACACA Q13085 4/20 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
SCHEMBL11277376 0.92 MAPT (0.53) KMT2AMAPTCA2MEN1POLB
SCHEMBL9199754 0.86 ACACB (0.40) KMT2AMAPTL3MBTL1ALDH1A1ACACB
SCHEMBL5132689 0.86 MAPT (0.48) KMT2AMAPTMEN1L3MBTL1ALDH1A1
SCHEMBL10717364 0.85 KDM4E (0.54) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL9197151 0.84 LMNA (0.41) KMT2AMAPTMEN1L3MBTL1ALDH1A1
SCHEMBL9191894 0.83 TSHR (0.39) KMT2AMAPTACACBACACA
SCHEMBL8096967 0.81 ACACB (0.42) KMT2AMEN1ACACBACACA
SCHEMBL6451238 0.80 ALDH1A1 (0.55) KMT2AMAPTCA2MEN1POLB
SCHEMBL4206694 0.80 ACACB (0.40) KMT2AMAPTMEN1POLBALDH1A1
SCHEMBL9197472 0.78 KMT2A (0.56) KMT2AMEN1L3MBTL1ALDH1A1HSD17B10

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
EP-2861206-B1 COMPOSITION INCLUDING A PYRIDINE DICARBOXYLIC ACID ESTER AND A BINDING POLYMER, METHOD THEREFOR, AND USE THEREOF FOR TREATING HAIR OREAL (FR) 2019-06-12 EP claimed
EP-2861205-B1 COMPOSITION INCLUDING A PYRIDINE DICARBOXYLIC ACID ESTER AND A GLUCOSE AND FATTY ACID ESTER. OREAL (FR) 2017-12-06 EP claimed