SCHEMBL7632376

SCHEMBL7632376

Cc1cc(C)cc(C(=O)OOC(=O)OCCC(CCOC(=O)OOC(=O)c2cc(C)cc(C)c2)COC(=O)OOC(=O)c2cc(C)cc(C)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 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
CNR1 P21554 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 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
SCHEMBL7633626 0.89 KMT2A (0.36) KMT2AMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL7631838 0.87 ADRB2 (0.45) KMT2AMEN1TDP1PKMTAS1R3
SCHEMBL7629985 0.86 ADRB2 (0.42) KMT2AMEN1TDP1ALDH1A1GAA
SCHEMBL7624255 0.85 KMT2A (0.36) KMT2AMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL7627960 0.85 KMT2A (0.36) KMT2AMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL7629528 0.83 KMT2A (0.38) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL7629425 0.82 PKM (0.38) KMT2AALDH1A1GAAPKMTAS1R3
SCHEMBL7636375 0.81 SLC29A1 (0.46) KMT2AMEN1CYP2D6CYP2C19TDP1
SCHEMBL7625507 0.79 LMNA (0.52) KMT2ATDP1ALDH1A1KDM4EGAA
SCHEMBL7634343 0.79 ALDH1A1 (0.40) KMT2AMEN1TDP1ALDH1A1PKM

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