SCHEMBL698001

SCHEMBL698001

COc1ccc(C(=O)OC(C)C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.58
CA2 P00918 4/20 0.58
MAPT P10636 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ELANE P08246 1/20 0.49
PARP1 P09874 1/20 0.48
PARP10 Q53GL7 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
PARP4 Q9UKK3 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LDHA P00338 1/20 0.47

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
SCHEMBL6369860 0.85 CA1 (0.44) CA1CA2MAPTMEN1KMT2A
SCHEMBL6855565 0.84 TP53 (0.63) CA1CA2MAPTMEN1KMT2A
SCHEMBL249567 0.84 TP53 (0.63) CA1CA2MAPTMEN1KMT2A
SCHEMBL698454 0.84 TP53 (0.63) CA1CA2MAPTMEN1KMT2A
SCHEMBL935315 0.84 TP53 (0.63) CA1CA2MAPTMEN1KMT2A
SCHEMBL7967084 0.84 TP53 (0.63) CA1CA2MAPTMEN1KMT2A
SCHEMBL14420469 0.84 TP53 (0.63) CA1CA2MAPTMEN1KMT2A
SCHEMBL11275122 0.83 CA1 (0.50) CA1CA2MAPTKMT2ANPC1
SCHEMBL5106640 0.83 CA1 (0.66) CA1CA2MAPTMEN1KMT2A
SCHEMBL698449 0.81 TDP1 (0.53) CA1CA2MAPTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423211-B1 PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF KANEKA CORP (JP) 2014-04-16 EP disclosed
EP-2423211-A1 PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF Kaneka Corporation (JP) 2012-02-29 EP disclosed