SCHEMBL9511958

SCHEMBL9511958

CCCCC(F)(C(=O)OC)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
FAAH O00519 8/20 0.36
EPHX1 P07099 2/20 0.36
CES1 P23141 5/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
DGAT1 O75907 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
SCHEMBL9509741 0.94 CES2 (0.44) CES2CA1CA2FAAHEPHX1
SCHEMBL9508290 0.92 CES2 (0.47) CES2FAAHEPHX1CES1MEN1
SCHEMBL9510980 0.92 CES2 (0.47) CES2FAAHEPHX1CES1MEN1
SCHEMBL9511932 0.92 CES2 (0.47) CES2FAAHEPHX1CES1MEN1
SCHEMBL9509073 0.92 CES2 (0.47) CES2FAAHEPHX1CES1MEN1
SCHEMBL9509805 0.92 CES2 (0.47) CES2FAAHEPHX1CES1MEN1
SCHEMBL9509807 0.82 MEN1 (0.44) CES2FAAHCES1MEN1KMT2A
SCHEMBL9511003 0.79 NAAA (0.44) CES2CA1CA2FAAHEPHX1
SCHEMBL9511953 0.79 LMNA (0.42) CES2FAAHCES1MEN1KMT2A
SCHEMBL10970451 0.79 CES2 (0.48) CES2CA1CA2FAAHEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0350334-B1 A process for producing fluorine-containing compounds NIPPON MINING CO (JP) 1993-10-27 EP disclosed
US-5126482-A Process for producing fluorine-containing carboxylic acids NIPPON MINING CO., LTD. (JP) 1992-06-30 US disclosed