SCHEMBL7631014

SCHEMBL7631014

Cc1cc(C)cc(C(=O)OO[C]2CCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
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
TPMT P51580 1/20 0.39
CNR2 P34972 1/20 0.36
HCAR1 Q9BXC0 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33

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
SCHEMBL7633040 1.00 HPGD (0.42) HPGDMEN1KMT2ACYP1A2CYP2D6
SCHEMBL7623494 0.98 MEN1 (0.42) HPGDMEN1KMT2ACYP1A2CYP2D6
SCHEMBL7631816 0.84 KMT2A (0.49) HPGDMEN1KMT2ACYP1A2CYP2C19
SCHEMBL7628543 0.84 KMT2A (0.49) HPGDMEN1KMT2ACYP1A2CYP2C19
SCHEMBL7623860 0.83 TDP1 (0.48) HPGDMEN1KMT2ACYP1A2CYP2C19
SCHEMBL7625721 0.83 TDP1 (0.48) HPGDMEN1KMT2ACYP1A2CYP2C19
SCHEMBL7627887 0.82 KMT2A (0.50) HPGDMEN1KMT2ACYP1A2CYP2C19
SCHEMBL7625901 0.81 TAS1R3 (0.41) HPGDMEN1KMT2ATAS1R3TAS1R1
SCHEMBL7631354 0.81 TAS1R3 (0.41) HPGDMEN1KMT2ATAS1R3TAS1R1
SCHEMBL7626946 0.81 TDP1 (0.50) HPGDMEN1KMT2ACYP1A2NPC1

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