SCHEMBL11280628

SCHEMBL11280628

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 2/20 0.43
TET3 O43151 1/20 0.41
FBXL19 Q6PCT2 1/20 0.41
CXXC5 Q7LFL8 1/20 0.41
TET1 Q8NFU7 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
CXXC4 Q9H2H0 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
PARP10 Q53GL7 1/20 0.41
NQO1 P15559 1/20 0.41
PLA2G4B P0C869 1/20 0.41
LMNA P02545 2/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 2/20 0.40
PLK1 P53350 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL9585941 0.84 KMT2A (0.41) KMT2AMEN1NPSR1NPC1TET3
SCHEMBL11279736 0.84 KMT2A (0.41) KMT2AMEN1NPC1TET3FBXL19
SCHEMBL11280832 0.71 KMT2A (0.47) KMT2AMEN1NPSR1NPC1TET3
SCHEMBL4342214 0.70 KMT2A (0.68) KMT2AMEN1NPSR1NPC1TET3
SCHEMBL10933849 0.70 KMT2A (0.46) KMT2AMEN1NPC1TET3FBXL19
SCHEMBL10800728 0.69 KMT2A (0.45) KMT2AMEN1NPSR1NPC1TET3
SCHEMBL11232365 0.68 KMT2A (0.73) KMT2AMEN1NPSR1TET3FBXL19
Hydrochloric Acid SCHEMBL10806927 0.68 KMT2A (0.44) KMT2AMEN1NPSR1NPC1TET3
SCHEMBL11275114 0.67 KMT2A (0.46) KMT2AMEN1NPC1TET3FBXL19
SCHEMBL2357783 0.67 KMT2A (0.46) KMT2AMEN1NPSR1NPC1TET3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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