SCHEMBL9510993

SCHEMBL9510993

CCCCCCCC(F)(C(=O)OCC)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
CES2 O00748 4/20 0.46
HTT P42858 1/20 0.45
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
LPAR1 Q92633 1/20 0.42
LPAR3 Q9UBY5 1/20 0.42
FAAH O00519 7/20 0.40
CES1 P23141 5/20 0.40
CYP1A2 P05177 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL9509762 1.00 MEN1 (0.53) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL9510939 1.00 MEN1 (0.53) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL9508242 1.00 MEN1 (0.53) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL9508298 1.00 MEN1 (0.53) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL9510951 0.98 MEN1 (0.50) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL9509807 0.93 MEN1 (0.44) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL9512029 0.88 NAAA (0.47) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL9511994 0.88 NAAA (0.47) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL9508174 0.88 NAAA (0.47) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL9510983 0.88 NAAA (0.47) MEN1KMT2AMAPTATML3MBTL1

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 3 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
EP-0350334-A2 A process for producing fluorine-containing compounds NIKKO KYODO CO., LTD. (JP) 1990-01-10 EP disclosed