SCHEMBL11061511

SCHEMBL11061511

CCOc1ccc([C@@]2(C(=O)O)CC2(Cl)Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
TET3 O43151 1/20 0.46
FBXL19 Q6PCT2 1/20 0.46
CXXC5 Q7LFL8 1/20 0.46
TET1 Q8NFU7 1/20 0.46
KDM2B Q8NHM5 1/20 0.46
CXXC4 Q9H2H0 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
MEN1 O00255 2/20 0.44
TSHR P16473 1/20 0.44
NQO1 P15559 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PLA2G4B P0C869 1/20 0.43
POLB P06746 3/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 1/20 0.41
PLK1 P53350 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL2357779 1.00 KMT2A (0.46) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL2357783 1.00 KMT2A (0.46) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL10585508 0.88 NQO1 (0.44) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL11280832 0.86 KMT2A (0.47) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL31687589 0.85 MEN1 (0.57) KMT2AMEN1TSHRPLA2G4BTP53
SCHEMBL11279733 0.85 GAA (0.43) KMT2AMEN1NQO1PARP10POLB
SCHEMBL31687659 0.85 KMT2A (0.40) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL11275114 0.84 KMT2A (0.46) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL10933849 0.84 KMT2A (0.46) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL31687657 0.84 MEN1 (0.56) KMT2AMEN1TSHRPLA2G4BTP53

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-0060445-B1 PROCESS FOR THE RESOLUTION OF RACEMATES AND LACTONE ESTERS USED IN SAID PROCESS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-08-01 EP disclosed