SCHEMBL7623752

SCHEMBL7623752

COc1ccc(C(=O)OO[C]2CCC(C(C)(C)C)CC2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
MAPT P10636 2/20 0.45
TSHR P16473 2/20 0.44
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
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TRPV6 Q9H1D0 1/20 0.42

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
SCHEMBL7626059 0.86 MEN1 (0.44) MAPTTSHRCYP2C9KMT2AMEN1
SCHEMBL7625442 0.83 MEN1 (0.45) MAPTCYP1A2CYP2C9CYP2C19CA1
SCHEMBL7631634 0.83 MAPT (0.56) CYP2D6MAPTTSHRCYP1A2CYP3A4
SCHEMBL7629617 0.82 KMT2A (0.41) CYP2D6MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL7628000 0.82 KMT2A (0.41) MAPTCYP3A4KMT2AMEN1KDM4E
SCHEMBL7637310 0.81 ESR1 (0.50) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL7629419 0.81 MAPT (0.55) CYP2D6MAPTTSHRCYP1A2CYP3A4
SCHEMBL7628166 0.81 MAPT (0.55) CYP2D6MAPTTSHRCYP1A2CYP3A4
SCHEMBL7625138 0.81 KMT2A (0.39) MAPTTSHRKMT2AMEN1SMN1; SMN2
SCHEMBL7629753 0.81 MAPT (0.44) MAPTTSHRKMT2AMEN1SMN1; SMN2

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