SCHEMBL6509263

SCHEMBL6509263

CCCCCCCCCCCC(=O)OCC(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.62
PAM P19021 2/20 0.56
TSHR P16473 1/20 0.53
MAPT P10636 1/20 0.53
FAAH O00519 7/20 0.52
CES1 P23141 5/20 0.52
CES2 O00748 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP1A2 P05177 1/20 0.52
HSD17B10 Q99714 1/20 0.52
DNM1 Q05193 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
KDM4E B2RXH2 1/20 0.50
DUSP3 P51452 1/20 0.50

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
SCHEMBL835850 1.00 DGKA (0.62) DGKAPAMTSHRMAPTFAAH
SCHEMBL2690121 1.00 DGKA (0.62) DGKAPAMTSHRMAPTFAAH
SCHEMBL2690448 1.00 DGKA (0.62) DGKAPAMTSHRMAPTFAAH
SCHEMBL21257687 1.00 DGKA (0.62) DGKAPAMTSHRMAPTFAAH
SCHEMBL21257703 1.00 DGKA (0.62) DGKAPAMTSHRMAPTFAAH
SCHEMBL2692664 0.98 DGKA (0.59) DGKAPAMTSHRMAPTFAAH
SCHEMBL2691702 0.92 DGKA (0.50) DGKAPAMTSHRMAPTFAAH
SCHEMBL540976 0.90 FAAH (0.59) DGKAMAPTFAAHCES1KMT2A
SCHEMBL540898 0.90 FAAH (0.59) DGKAMAPTFAAHCES1KMT2A
SCHEMBL6297122 0.90 HTT (0.48) DGKAPAMTSHRMAPTFAAH

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1002123-A1 ENZYMATIC KINETIC RESOLUTION OF AN INTERMEDIATE USEFUL FOR PREPARING SUBSTITUTED TRICYCLICS SCHERING CORPORATION (US) 2000-05-24 EP claimed
US-6037166-A MULTISTEP PROCESS USING HYDROLASE AND ACYLATING AGENT; OPTIONALLY CONVERTING UNDESIRED ISOMERS INTO RACEMATE BY HEATING AND RESUBJECTING TO PROCESS; FOR ANTIHISTAMINES AND INHIBITORS OF FARNESYL PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2000-03-14 US claimed
WO-1998058073-A1 ENZYMATIC KINETIC RESOLUTION OF AN INTERMEDIATE USEFUL FOR PREPARING SUBSTITUTED TRICYCLICS SCHERING CORPORATION (US) 1998-12-23 WO claimed
WO-2005033076-A1 METHOD FOR PREPARING 3-HYDROXY-4-HYDROXYMETHYL-PYRROLIDINE COMPOUNDS INDUSTRIAL RESEARCH LIMITED (NZ) 2005-04-14 WO disclosed
EP-0830136-B1 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIV HAWAII (US) 2004-10-20 EP disclosed
US-6180679-B1 PARASITICIDE ELI LILLY AND COMPANY 2001-01-30 US disclosed
EP-0830136-A4 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIV HAWAII (US) 2001-01-24 EP disclosed
EP-1002123-A1 ENZYMATIC KINETIC RESOLUTION OF AN INTERMEDIATE USEFUL FOR PREPARING SUBSTITUTED TRICYCLICS SCHERING CORPORATION (US) 2000-05-24 EP disclosed
US-6037166-A MULTISTEP PROCESS USING HYDROLASE AND ACYLATING AGENT; OPTIONALLY CONVERTING UNDESIRED ISOMERS INTO RACEMATE BY HEATING AND RESUBJECTING TO PROCESS; FOR ANTIHISTAMINES AND INHIBITORS OF FARNESYL PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2000-03-14 US disclosed
US-6013626-A TO INHIBIT THE PROLIFERATION OF MAMMALIAN CELLS; ANTITUMOR AGENTS THE UNIVERSITY OF HAWAII (US) 2000-01-11 US disclosed
WO-1998058073-A1 ENZYMATIC KINETIC RESOLUTION OF AN INTERMEDIATE USEFUL FOR PREPARING SUBSTITUTED TRICYCLICS SCHERING CORPORATION (US) 1998-12-23 WO disclosed
EP-0870506-A1 Compositions comprising a cryptophycin compound in combination with a synchronizing or activating agent for treating cancer ELI LILLY AND COMPANY (US) 1998-10-14 EP disclosed
EP-0870501-A1 Use of specific cryptophycin derivatives for the manufacture of a medicament in the treatment of fungal infections ELI LILLY AND COMPANY (US) 1998-10-14 EP disclosed
EP-0870510-A2 Synergistic combination comprising cryptophycin derivatives and microtubule synergizing agents ELI LILLY AND COMPANY (US) 1998-10-14 EP disclosed
EP-0830136-A1 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIVERSITY OF HAWAII (US) 1998-03-25 EP disclosed
WO-1996040184-A1 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIVERSITY OF HAWAII (US) 1996-12-19 WO disclosed
US-5585252-A CATALYTIC ACYLATION OF ALCOHOLS G. D. SEARLE & CO. (US) 1996-12-17 US disclosed
EP-0560408-A1 Enantio- and regioselective syntheses of organic compounds using enol esters as irreversible transacylation reagents G.D. SEARLE & CO. (US) 1993-09-15 EP disclosed
US-5106750-A Enzymatic resolution of hydroxycyclopentenones using lipase G. D. SEARLE & CO. (US) 1992-04-21 US disclosed
EP-0357009-A2 Method of resolution of hydroxy-cyclopentenones using a lipase and transacylation agents G.D. Searle & Co. (US) 1990-03-07 EP disclosed