SCHEMBL7627675

SCHEMBL7627675

COc1ccc(C(=O)OO[C]2CCC(C)C(C)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
ELANE P08246 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 1/20 0.38

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
SCHEMBL7630604 0.86 TDP1 (0.41) NPC1RAB9ACES2CES1SMN1; SMN2
SCHEMBL7634209 0.85 CA1 (0.49) CA1CA2MAPK1NPC1RAB9A
SCHEMBL7625026 0.85 LMNA (0.46) MAPK1LMNAKMT2AMAPTMEN1
SCHEMBL7630153 0.84 MEN1 (0.40) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL7629605 0.83 MAPT (0.40) CA1CA2RAB9ASMN1; SMN2LMNA
SCHEMBL7635368 0.83
SCHEMBL7625546 0.83 SCN1A (0.44) MAPK1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7625445 0.83 POLB (0.42) MAPK1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7629912 0.83 CA1 (0.44) CA1CA2MAPK1NPC1RAB9A
SCHEMBL7632994 0.81 PLK1 (0.38) NPC1RAB9ASMN1; SMN2KMT2AMAPT

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