SCHEMBL11280832

SCHEMBL11280832

CCOc1ccc(C2(C(=O)O)CC2(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
TET3 O43151 1/20 0.47
FBXL19 Q6PCT2 1/20 0.47
CXXC5 Q7LFL8 1/20 0.47
TET1 Q8NFU7 1/20 0.47
KDM2B Q8NHM5 1/20 0.47
CXXC4 Q9H2H0 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47
MEN1 O00255 3/20 0.46
TSHR P16473 1/20 0.46
NQO1 P15559 1/20 0.45
PARP10 Q53GL7 1/20 0.45
KDM4E B2RXH2 3/20 0.44
PLA2G4B P0C869 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 1/20 0.42
PLK1 P53350 1/20 0.42

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
SCHEMBL10933849 0.86 KMT2A (0.46) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL2357783 0.86 KMT2A (0.46) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL11275114 0.86 KMT2A (0.46) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL2357779 0.86 KMT2A (0.46) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL11061511 0.86 KMT2A (0.46) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL11280626 0.84 GAA (0.43) KMT2AMEN1TSHRNQO1PARP10
SCHEMBL9753539 0.82 KMT2A (0.43) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL10540271 0.82 KMT2A (0.43) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL2033743 0.81 CFTR (0.47) KMT2ATET3FBXL19CXXC5TET1
Hydrochloric Acid SCHEMBL9753870 0.81 KMT2A (0.43) KMT2ATET3FBXL19CXXC5TET1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4220591-A Insecticidal esters COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1980-09-02 US claimed
US-4309350-A CONDENSATION OF PHENYLACETIC ESTER WITH DIALKYL OXALATE IN PRESENCE OF BASIC CATALYST, ACIDIFICATION, HYDROXYMETHYLATION, DEHYDRATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1982-01-05 US disclosed
US-4262014-A Insecticidal esters COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1981-04-14 US disclosed
US-4220591-A Insecticidal esters COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1980-09-02 US disclosed