SCHEMBL7636613

SCHEMBL7636613

[CH2]COOC(=O)c1cc(C)cc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
NR1I2 O75469 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
CNR2 P34972 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SLC7A5 Q01650 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL7630888 0.85 TPMT (0.41) TPMTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL7628457 0.82 CNR2 (0.38) TPMTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL7625899 0.82 PARP1 (0.49) MEN1KMT2ACYP1A2CYP2C19TDP1
SCHEMBL7633696 0.81 CNR2 (0.40) TPMTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL11520841 0.81 TPMT (0.56) TPMTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL7634453 0.81 TDP1 (0.53) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL7631372 0.80 CNR2 (0.39) TPMTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL7629456 0.80 CNR2 (0.39) TPMTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL7634755 0.80 CNR2 (0.39) TPMTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL7634241 0.79 TPMT (0.50) TPMTMEN1KMT2ACYP1A2CYP2D6

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