SCHEMBL7624141

SCHEMBL7624141

COc1ccc(C(=O)OOC(=O)OCCC(CCOC(=O)OOC(=O)c2ccc(OC)c(OC)c2)COC(=O)OOC(=O)c2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
TSHR P16473 2/20 0.49
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
TPMT P51580 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 5/20 0.42
CYP2D6 P10635 1/20 0.42
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL7630770 0.90 MAPT (0.49) MAPTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL7630972 0.87 MAPT (0.46) MAPTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL7631990 0.87 MAPT (0.46) MAPTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL7636375 0.86 SLC29A1 (0.46) TSHRCYP3A4CYP2C9CYP2C19MAPK1
SCHEMBL7627039 0.83 CA1 (0.45) MAPTCA1CA2KMT2AGAA
SCHEMBL7633155 0.82 KMT2A (0.51) MAPTCYP3A4KMT2AGAAKDM4E
SCHEMBL7629425 0.82 PKM (0.38) MAPTTSHRMAPK1KMT2AGAA
SCHEMBL7630219 0.81 SMN1; SMN2 (0.47) TSHRMAPK1KMT2APOLBALDH1A1
SCHEMBL7629528 0.81 KMT2A (0.38) MAPTTSHRKMT2AGAAKDM4E
SCHEMBL7634810 0.81 MEN1 (0.45) MAPTTSHRKMT2AKDM4EPOLB

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
EP-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 EP disclosed