SCHEMBL9509741

SCHEMBL9509741

CCCCCC(F)(C(=O)OC)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LPAR1 Q92633 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FAAH O00519 8/20 0.39
EPHX1 P07099 2/20 0.39
CES1 P23141 5/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL9510980 0.98 CES2 (0.47) CES2MEN1KMT2ALPAR1LPAR3
SCHEMBL9508290 0.98 CES2 (0.47) CES2MEN1KMT2ALPAR1LPAR3
SCHEMBL9509073 0.98 CES2 (0.47) CES2MEN1KMT2ALPAR1LPAR3
SCHEMBL9509805 0.98 CES2 (0.47) CES2MEN1KMT2ALPAR1LPAR3
SCHEMBL9511932 0.98 CES2 (0.47) CES2MEN1KMT2ALPAR1LPAR3
SCHEMBL9511958 0.94 CES2 (0.37) CES2MEN1KMT2ALPAR1LPAR3
SCHEMBL9510951 0.83 MEN1 (0.50) CES2MEN1KMT2ALPAR1LPAR3
SCHEMBL9510974 0.81 NAAA (0.44) CES2MEN1KMT2ALPAR1LPAR3
SCHEMBL9508242 0.81 MEN1 (0.53) CES2MEN1KMT2ALPAR1LPAR3
SCHEMBL9509762 0.81 MEN1 (0.53) CES2MEN1KMT2ALPAR1LPAR3

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