SCHEMBL7631016

SCHEMBL7631016

COc1ccc(C(=O)OO[C]2CC(C)CCC2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
KMT2A Q03164 3/20 0.40
ELANE P08246 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7631864 0.86 TDP1 (0.41) RAB9ANPC1CES2CES1KMT2A
SCHEMBL7627495 0.85 CA1 (0.41) CA1CA2RAB9ANPC1CES2
SCHEMBL7633347 0.85 LMNA (0.46) KMT2ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL7631142 0.84 POLB (0.40) RAB9ANPC1KMT2ALMNASMN1; SMN2
SCHEMBL7625019 0.83 MAPT (0.31) SMN1; SMN2ALDH1A1MAPT
SCHEMBL7627365 0.83 TP53 (0.41) CA1CA2RAB9AKMT2ASMN1; SMN2
SCHEMBL7623912 0.83 POLB (0.42) RAB9ANPC1KMT2ALMNASMN1; SMN2
SCHEMBL7631618 0.83 SCN1A (0.44) RAB9ANPC1KMT2ALMNASMN1; SMN2
SCHEMBL7633441 0.81 MAPK1 (0.50) CA1CA2RAB9ANPC1CES2
SCHEMBL7629746 0.81 PLK1 (0.38) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1

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