SCHEMBL28218501

SCHEMBL28218501

CC(C)(O)COCC(O)CO

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
VDR P11473 3/20 0.41
LMNA P02545 3/20 0.35
ALDH1A1 P00352 1/20 0.35
AR P10275 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 3/20 0.32
CYP1A2 P05177 2/20 0.32
AGTR1 P30556 1/20 0.32
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL17109771 0.84 USP2 (0.45) USP2VDRLMNAALDH1A1AR
SCHEMBL4610769 0.84 USP2 (0.45) USP2VDRLMNAALDH1A1AR
SCHEMBL17014615 0.84 USP2 (0.45) USP2VDRLMNAALDH1A1AR
SCHEMBL100711 0.80 USP2 (0.42) USP2VDRLMNAALDH1A1AR
SCHEMBL2869714 0.80 USP2 (0.42) USP2VDRLMNAALDH1A1AR
SCHEMBL25190937 0.80 USP2 (0.42) USP2VDRLMNAALDH1A1AR
Ethylene SCHEMBL9662814 0.80 USP2 (0.42) USP2VDRLMNAALDH1A1AR
SCHEMBL8402810 0.80 USP2 (0.42) USP2VDRLMNAALDH1A1AR
SCHEMBL12003008 0.78 USP2 (0.41) USP2VDRLMNAALDH1A1AR
SCHEMBL8463103 0.78 USP2 (0.41) USP2VDRLMNAALDH1A1AR

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
CN-108250053-B Method and system for preparing glycerin alkyl ether 中国石油化工股份有限公司 2024-01-09 CN disclosed
CN-108250053-A Prepare the method and system of glycerine alkyl ether 中国石油化工股份有限公司 2018-07-06 CN disclosed