SCHEMBL8912052

SCHEMBL8912052

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.42
VNN1 O95497 5/20 0.42
CES2 O00748 1/20 0.42
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
DDR1 Q08345 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PTPN1 P18031 1/20 0.37
PPARA Q07869 1/20 0.36
S1PR2 O95136 1/20 0.36
NOTUM Q6P988 1/20 0.36
GAA P10253 1/20 0.36
PLOD3 O60568 1/20 0.35
PLOD1 Q02809 1/20 0.35
MLYCD O95822 1/20 0.35

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
SCHEMBL8911336 0.90 CES2 (0.52) PLOD2CES2RXRARXRBRXRG
SCHEMBL8911819 0.89 PLOD2 (0.49) PLOD2CES2HDAC3HDAC1HDAC2
SCHEMBL8912078 0.81 CES2 (0.48) PLOD2CES2RXRARXRBRXRG
SCHEMBL8911872 0.80 PLOD2 (0.47) PLOD2CES2HDAC3HDAC1HDAC2
SCHEMBL8911577 0.79 PLOD2 (0.46) PLOD2CES2HDAC3HDAC1HDAC2
SCHEMBL8912767 0.78 PLOD2 (0.45) PLOD2CES2PLOD3PLOD1
SCHEMBL865889 0.77 PTPN1 (0.58) VNN1CES2RXRARXRBRXRG
SCHEMBL31019373 0.77 PTPN1 (0.62) PLOD2CES2HDAC1PTPN1PLOD3
SCHEMBL6925102 0.77 CES2 (0.47) VNN1CES2RXRARXRBRXRG
SCHEMBL23091848 0.76 CES2 (0.55) PLOD2CES2RXRARXRBRXRG

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
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