SCHEMBL7629149

SCHEMBL7629149

[CH2]CCC[C](OOC(=O)c1cc(C)cc(C)c1)OOC(=O)c1cc(C)cc(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
NR1I2 O75469 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
CNR2 P34972 3/20 0.35
HDAC3 O15379 3/20 0.35
HDAC4 P56524 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC7 Q8WUI4 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC10 Q969S8 3/20 0.35
HDAC11 Q96DB2 3/20 0.35

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
SCHEMBL7633001 0.95 HDAC3 (0.37) TPMTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL7628336 0.90 TPMT (0.39) TPMTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL7627807 0.86 PARP1 (0.44) MEN1KMT2AHDAC8HDAC6TDP1
SCHEMBL7636213 0.84 TDP1 (0.46) KMT2ATDP1NPC1RAB9A
SCHEMBL7631928 0.84 PARP1 (0.41) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL7630199 0.83 TPMT (0.42) TPMTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL7633414 0.83 HDAC8 (0.43) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL7630747 0.83 HDAC8 (0.43) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL7628781 0.83 HDAC8 (0.43) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL7631609 0.83 HDAC8 (0.43) MEN1KMT2AHDAC3HDAC4HDAC1

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