SCHEMBL11245183

SCHEMBL11245183

COc1ccc(C(=O)OCCCOC(=O)c2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.69
MAPT P10636 3/20 0.69
TSHR P16473 3/20 0.69
KMT2A Q03164 5/20 0.62
MEN1 O00255 2/20 0.62
KDM4E B2RXH2 1/20 0.60
POLB P06746 1/20 0.60
MAPK1 P28482 1/20 0.60
CYP3A4 P08684 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
GAA P10253 1/20 0.59
HTT P42858 1/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA4 P22748 1/20 0.58
CA6 P23280 1/20 0.58
CA7 P43166 1/20 0.58

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
SCHEMBL1355587 0.95 HDAC6 (0.77) HDAC6MAPTTSHRKMT2AMEN1
SCHEMBL11245864 0.93 MAPT (0.73) HDAC6MAPTTSHRKMT2AMEN1
SCHEMBL9445894 0.92 MAPT (0.70) HDAC6MAPTTSHRKMT2AMEN1
SCHEMBL7952900 0.91 HDAC6 (0.62) HDAC6MAPTTSHRKMT2AMEN1
SCHEMBL27516230 0.91 HDAC6 (0.67) HDAC6MAPTTSHRKMT2AMEN1
SCHEMBL11486141 0.91 HDAC6 (0.62) HDAC6MAPTTSHRKMT2AMEN1
SCHEMBL20918131 0.89 HDAC6 (0.69) HDAC6MAPTTSHRKMT2AMEN1
Dodecyl 3,4-Dimethoxybenzoate SCHEMBL7801796 0.89 HDAC6 (0.69) HDAC6MAPTTSHRKMT2AMEN1
SCHEMBL11488776 0.89 HDAC6 (0.65) HDAC6MAPTTSHRKMT2AMEN1
SCHEMBL7956506 0.89 HDAC6 (0.65) HDAC6MAPTTSHRKMT2AMEN1

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-4342875-A STABILIZERS FOR OLEFIN POLYMERS CINCINNATI-MILACRON, INC. (US) 1982-08-03 US claimed