SCHEMBL7624255

SCHEMBL7624255

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

nearest known ligand 0.37

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
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32

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
SCHEMBL7627960 0.97 KMT2A (0.36) KMT2AMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL7633626 0.93 KMT2A (0.36) KMT2AMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL7629011 0.88 ADRB2 (0.43) KMT2AMEN1PKMTAS1R3TAS1R1
SCHEMBL7634823 0.87 ADRB2 (0.39) KMT2ATDP1ALDH1A1GAAPKM
SCHEMBL7632061 0.86 ALDH1A1 (0.31) ALDH1A1L3MBTL1
SCHEMBL7632253 0.85 ADRB2 (0.43) KMT2AMEN1PKMTAS1R3TAS1R1
SCHEMBL7632376 0.85 KMT2A (0.36) KMT2AMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL7634342 0.85 KMT2A (0.36) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL7634658 0.84 ADRB2 (0.39) KMT2ATDP1ALDH1A1GAAPKM
SCHEMBL7629547 0.84 RAB9A (0.35) KMT2ACYP1A2CYP2D6CYP2C19TDP1

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