SCHEMBL7630276

SCHEMBL7630276

COc1ccc(C(=O)OO[C]2CCCCCCCCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
PARP1 P09874 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
PARP4 Q9UKK3 1/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL7633045 1.00 CA1 (0.53) CA1CA2CES2CES1MAPK1
SCHEMBL7628693 0.98 CA1 (0.55) CA1CA2CES2CES1MAPK1
SCHEMBL7629494 0.87 CA1 (0.56) CA1CA2CES2CES1MAPK1
SCHEMBL7627577 0.84 KMT2A (0.44) LMNAKMT2AMAPTKDM4EMEN1
SCHEMBL7633497 0.84 KMT2A (0.44) LMNAKMT2AMAPTKDM4EMEN1
SCHEMBL7623860 0.83 TDP1 (0.48) CES2CES1CYP1A2CYP2C9CYP2C19
SCHEMBL7625721 0.83 TDP1 (0.48) CES2CES1CYP1A2CYP2C9CYP2C19
SCHEMBL7634209 0.83 CA1 (0.49) CA1CA2CES2CES1MAPK1
SCHEMBL7624270 0.83 KMT2A (0.50) HPGDLMNASMN1; SMN2PARP10KMT2A
SCHEMBL7629980 0.83 HPGD (0.51) HPGDLMNAPARP10KMT2AMAPT

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