SCHEMBL7628166

SCHEMBL7628166

COc1ccc(C(=O)OO[C]2CCCCCCCCCCC2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
TSHR P16473 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
TPMT P51580 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CYP2D6 P10635 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47

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
SCHEMBL7629419 1.00 MAPT (0.55) MAPTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL7631634 0.98 MAPT (0.56) MAPTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL7629964 0.84 MEN1 (0.50) MAPTTSHRCYP3A4CYP2C9CYP2C19
SCHEMBL7625836 0.84 MEN1 (0.50) MAPTTSHRCYP3A4CYP2C9CYP2C19
SCHEMBL7626008 0.82 MEN1 (0.51) MAPTTSHRCYP3A4CYP2C9CYP2C19
SCHEMBL7623752 0.81 CYP2D6 (0.47) MAPTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL8778631 0.81 TSHR (0.70) MAPTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL7630276 0.80 CA1 (0.53) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7633045 0.80 CA1 (0.53) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7623552 0.79 KMT2A (0.44) MAPTTSHRCYP1A2CYP3A4CYP2C9

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