SCHEMBL7630972

SCHEMBL7630972

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
TSHR P16473 2/20 0.46
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA7 P43166 1/20 0.40
TPMT P51580 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL7631990 0.98 MAPT (0.46) MAPTTSHRCYP2D6CYP2C19CYP1A2
SCHEMBL7630770 0.94 MAPT (0.49) MAPTTSHRCYP2D6CYP2C19CYP1A2
SCHEMBL7635417 0.87 SLC29A1 (0.46) TSHRCYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL7624141 0.87 MAPT (0.49) MAPTTSHRCYP2D6CYP2C19CYP1A2
SCHEMBL7626383 0.85 SLC29A1 (0.46) TSHRCYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL7626076 0.84 CA1 (0.42) MAPTCA1CA2KMT2AALDH1A1
SCHEMBL7629547 0.83 RAB9A (0.35) MAPTTSHRCYP2D6CYP2C19CYP1A2
SCHEMBL7630234 0.83 KMT2A (0.48) MAPTCYP3A4KMT2AALDH1A1KDM4E
SCHEMBL7623550 0.83 NPSR1 (0.45) TSHRMAPK1KMT2AALDH1A1POLB
SCHEMBL7625638 0.82 CA1 (0.42) MAPTCA1CA2KMT2AALDH1A1

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