SCHEMBL7635797

SCHEMBL7635797

[CH2]CCC[C](OOC(=O)c1cccc(C)c1C)OOC(=O)c1cccc(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
UTS2R Q9UKP6 1/20 0.37
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
CYP3A4 P08684 2/20 0.36
AKR1B10 O60218 1/20 0.36
TRPA1 O75762 1/20 0.36
ABCB11 O95342 1/20 0.36
DHFR P00374 1/20 0.36
LMNA P02545 1/20 0.36
MPO P05164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
AKR1B1 P15121 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 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
SCHEMBL7631710 0.96 KMT2A (0.40) KMT2AMEN1UTS2RATMTDP1
SCHEMBL7626189 0.94 KMT2A (0.40) KMT2AMEN1UTS2RATMTDP1
SCHEMBL7627244 0.94 KMT2A (0.40) KMT2AMEN1UTS2RATMTDP1
SCHEMBL7633053 0.91 MEN1 (0.43) KMT2AMEN1UTS2RATMTDP1
SCHEMBL7634271 0.88 MEN1 (0.40) KMT2AMEN1TDP1LMNAESR1
SCHEMBL7631090 0.85 KMT2A (0.45) KMT2AMEN1UTS2RATMTDP1
SCHEMBL7631250 0.84 MEN1 (0.39) KMT2AMEN1TDP1LMNAESR1
SCHEMBL7633855 0.84 CA12 (0.34) KMT2AMEN1ATMTDP1CYP1A2
SCHEMBL7633025 0.83 HDAC3 (0.40) KMT2AMEN1TDP1LMNAESR1
SCHEMBL7633162 0.83 HDAC3 (0.40) KMT2AMEN1TDP1LMNAESR1

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