SCHEMBL8910968

SCHEMBL8910968

O=C(CC(=O)C1(F)C(F)C1(F)F)c1cc(F)cc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
SLC6A3 Q01959 1/20 0.35
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
PLOD2 O00469 1/20 0.31
PTPN1 P18031 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31

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
SCHEMBL19367869 0.75 CES1 (0.59) CES2CES1SLC6A3KDM4EMEN1
SCHEMBL8912061 0.73 CES2 (0.39) CES2CES1SLC6A3KDM4EMEN1
SCHEMBL8911638 0.73 CES2 (0.39) CES2CES1SLC6A3KDM4EMEN1
SCHEMBL7220761 0.70 CES1 (0.52) CES2CES1SLC6A3KDM4EMEN1
SCHEMBL976560 0.68 PTPN1 (0.61) CES2CES1PTPN1HCAR1
SCHEMBL4457800 0.66 CES2 (0.46) CES2CES1SLC6A3KDM4EMEN1
SCHEMBL363750 0.65 CES2 (0.56) CES2CES1SLC6A3NPC1PTPN1
SCHEMBL4361178 0.65 CES2 (0.56) CES2CES1SLC6A3KDM4EMEN1
SCHEMBL8913304 0.65 VNN1 (0.40) CES2PLOD2PTPN1
SCHEMBL31149614 0.64 CES2 (0.41) CES2CES1

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
US-5618547-A ADMINISTERING PERFLUOROALKYL GROUP-CONTAINING PHENYL PROPANEDIONE DERIVATIVES BRITISH TECHNOLOGY GROUP LIMITED (GB) 1997-04-08 US disclosed
US-4870109-A ANIMAL HUSBANDRY ELI LILLY AND COMPANY (US) 1989-09-26 US disclosed
EP-0317275-A2 Control of ectoparasites BRITISH TECHNOLOGY GROUP USA INC. (US) 1989-05-24 EP disclosed