SCHEMBL9753539

SCHEMBL9753539

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
TET3 O43151 1/20 0.43
FBXL19 Q6PCT2 1/20 0.43
CXXC5 Q7LFL8 1/20 0.43
TET1 Q8NFU7 1/20 0.43
KDM2B Q8NHM5 1/20 0.43
CXXC4 Q9H2H0 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
MEN1 O00255 3/20 0.42
TSHR P16473 1/20 0.42
PARP10 Q53GL7 1/20 0.41
PLA2G4B P0C869 1/20 0.40
NQO1 P15559 1/20 0.40
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 1/20 0.39
PLK1 P53350 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL10540271 1.00 KMT2A (0.43) KMT2ATET3FBXL19CXXC5TET1
Hydrochloric Acid SCHEMBL9753870 0.99 KMT2A (0.43) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL10933849 0.90 KMT2A (0.46) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL9753866 0.87 PARP10 (0.40) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL11043611 0.86 GAA (0.40) KMT2AMEN1PARP10NQO1POLB
SCHEMBL10543110 0.86 GAA (0.40) KMT2AMEN1PARP10NQO1POLB
SCHEMBL11280832 0.82 KMT2A (0.47) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL11275114 0.81 KMT2A (0.46) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL11061511 0.81 KMT2A (0.46) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL2357783 0.81 KMT2A (0.46) 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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4855446-A Process for the resolution of racemates using lactone esters THE SHERWIN WILLIAMS COMPANY (US) 1989-08-08 US claimed
EP-0118283-B1 PHENYL-CYCLOBUTANE CARBOXYLATES AS ARTHROPODICIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1988-11-02 EP claimed
EP-0044718-B1 PESTICIDAL PENTAFLUOROBENZYL ESTERS OF CYCLOALKYL CARBOXYLIC ACIDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1985-11-13 EP claimed
EP-0138853-A1 ARTHROPODICIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1985-05-02 EP claimed
US-4501908-A 2,3-Isopropylidene ribonic acid, 1,4-lactones HOFFMANN-LA ROCHE INC. (US) 1985-02-26 US claimed
WO-1984003504-A1 ARTHROPODICIDES COMMW SCIENT IND RES ORG (AU) 1984-09-13 WO claimed
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 claimed
EP-0060445-A1 Process for the resolution of racemates and lactone esters used in said process F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-09-22 EP claimed
EP-0002620-B1 CYCLOALKYL CARBOXYLIC ESTERS, INSECTICIDAL COMPOSITIONS CONTAINING THEM, AND METHODS FOR THEIR PREPARATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1981-11-25 EP claimed
WO-1991007380-A1 ARTHROPODICIDES DUNLENA PTY. LTD. (AU) 1991-05-30 WO disclosed
US-4855446-A Process for the resolution of racemates using lactone esters THE SHERWIN WILLIAMS COMPANY (US) 1989-08-08 US disclosed
US-4849450-A INSECTICIDES, MITICIDES DUNLENA PTY. LTD. (AU) 1989-07-18 US disclosed
EP-0118283-B1 PHENYL-CYCLOBUTANE CARBOXYLATES AS ARTHROPODICIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1988-11-02 EP disclosed
EP-0043187-B1 PESTICIDAL CYCLOBUTYL CARBOXYLIC ESTER COMPRISING COMPOSITIONS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1986-05-14 EP disclosed
US-4339458-A HALOCYCLOBUTANECARBOXYLATES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1982-07-13 US disclosed
EP-0044718-A2 Pesticidal pentafluorobenzyl esters of cycloalkyl carboxylic acids COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1982-01-27 EP disclosed
EP-0043187-A1 Pesticidal cyclobutyl carboxylic ester comprising compositions COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1982-01-06 EP disclosed
EP-0002620-B1 CYCLOALKYL CARBOXYLIC ESTERS, INSECTICIDAL COMPOSITIONS CONTAINING THEM, AND METHODS FOR THEIR PREPARATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1981-11-25 EP disclosed
US-4235926-A DERIVATIVES OF CYCLOBUTANE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1980-11-25 US disclosed
EP-0002620-A1 Cycloalkyl carboxylic esters, insecticidal compositions containing them, and methods for their preparation COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1979-06-27 EP disclosed