SCHEMBL10540765

SCHEMBL10540765

O=C(O)C1(c2ccc(Cl)cc2)CC(F)(F)C1(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
KDM1A O60341 1/20 0.38
TET3 O43151 1/20 0.36
KMT2A Q03164 1/20 0.36
FBXL19 Q6PCT2 1/20 0.36
CXXC5 Q7LFL8 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
CXXC4 Q9H2H0 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
HDAC4 P56524 1/20 0.36
HSD11B1 P28845 6/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CCR2 P41597 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL10889297 1.00 MAOA (0.38) MAOAMAOBKDM1ATET3KMT2A
SCHEMBL10539678 0.83 GSK3B (0.32) MAOAMAOBALDH1A1MAPK1
SCHEMBL11451364 0.78 KMT2A (0.46) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL17764152 0.77 CCR2 (0.44) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL9753539 0.75 KMT2A (0.43) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL11311571 0.74 SLC6A3 (0.39) KMT2A
SCHEMBL10543020 0.73 ALDH1A1 (0.45) KMT2AALDH1A1MAPK1
SCHEMBL10545643 0.73 ALDH1A1 (0.45) KMT2AALDH1A1MAPK1
SCHEMBL10543614 0.73 ALDH1A1 (0.45) KMT2AALDH1A1MAPK1
SCHEMBL990390 0.71 TET3 (0.48) MAOAMAOBKDM1ATET3KMT2A

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 14 patents. 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-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
US-4855446-A Process for the resolution of racemates using lactone esters THE SHERWIN WILLIAMS COMPANY (US) 1989-08-08 US disclosed
EP-0043187-B1 PESTICIDAL CYCLOBUTYL CARBOXYLIC ESTER COMPRISING COMPOSITIONS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1986-05-14 EP disclosed
EP-0044718-B1 PESTICIDAL PENTAFLUOROBENZYL ESTERS OF CYCLOALKYL CARBOXYLIC ACIDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1985-11-13 EP disclosed
US-4540710-A Insecticidal ester enantiomers THE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1985-09-10 US disclosed
US-4501908-A 2,3-Isopropylidene ribonic acid, 1,4-lactones HOFFMANN-LA ROCHE INC. (US) 1985-02-26 US disclosed
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
US-4391820-A Insecticidal ester enantiomers COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1983-07-05 US disclosed
US-4390715-A INSECTICIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1983-06-28 US disclosed
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 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