SCHEMBL6898362

SCHEMBL6898362

CCCCCCCCCCCC(=O)OC(F)(F)CF

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.50
CES1 P23141 7/20 0.50
CES2 O00748 4/20 0.50
DGKA P23743 1/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 1/20 0.47
LMNA P02545 2/20 0.47
PAM P19021 2/20 0.46
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL835849 1.00 FAAH (0.50) FAAHCES1CES2DGKAMEN1
SCHEMBL8062961 0.98 FAAH (0.48) FAAHCES1CES2DGKAMEN1
SCHEMBL67891 0.84 ALDH1A1 (0.46) FAAHCES1CES2MEN1CYP1A2
SCHEMBL7593373 0.82 FAAH (0.55) FAAHCES1CES2DGKAMEN1
SCHEMBL27429395 0.82 FAAH (0.55) FAAHCES1CES2DGKAMEN1
SCHEMBL28767623 0.81 FAAH (0.53) FAAHCES1CES2DGKAMEN1
SCHEMBL1216447 0.80 FAAH (0.54) FAAHCES1CES2DGKAMEN1
SCHEMBL28311100 0.79 FAAH (0.52) FAAHCES1CES2DGKAMEN1
SCHEMBL2334337 0.79 ALDH1A1 (0.56) FAAHCES1HSD17B10TSHRLMNA
SCHEMBL28794167 0.79 DGKA (0.55) CES1CES2DGKAMEN1KMT2A

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 22 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
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
WO-1998046221-A1 METHOD FOR TREATING FUNGAL INFECTIONS ELI LILLY AND COMPANY (US) 1998-10-22 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-0870510-A2 Synergistic combination comprising cryptophycin derivatives and microtubule synergizing agents 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-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