SCHEMBL8911638

SCHEMBL8911638

O=C(CC(=O)C1C(F)(F)C(F)(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
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
SLC6A3 Q01959 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
SCHEMBL8912061 0.97 CES2 (0.39) CES2CES1KDM4EMEN1NPC1
SCHEMBL10560273 0.82 RAB9A (0.41) MEN1NPC1MAPTKMT2A
SCHEMBL19367869 0.75 CES1 (0.59) CES2CES1KDM4EMEN1NPC1
SCHEMBL8910968 0.73 CES2 (0.39) CES2CES1KDM4EMEN1NPC1
SCHEMBL7220761 0.70 CES1 (0.52) CES2CES1KDM4EMEN1NPC1
SCHEMBL976560 0.68 PTPN1 (0.61) CES2CES1PTPN1HCAR1
SCHEMBL4457800 0.66 CES2 (0.46) CES2CES1KDM4EMEN1NPC1
SCHEMBL363750 0.65 CES2 (0.56) CES2CES1NPC1SLC6A3PTPN1
SCHEMBL4361178 0.65 CES2 (0.56) CES2CES1KDM4EMEN1NPC1
SCHEMBL20259927 0.65 CES2 (0.45) CES2CES1KDM4EMEN1NPC1

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