SCHEMBL8911577

SCHEMBL8911577

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.46
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
PLOD3 O60568 2/20 0.38
PLOD1 Q02809 2/20 0.38
SLC6A3 Q01959 1/20 0.36
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
HTT P42858 3/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX12 P18054 1/20 0.33
HCAR1 Q9BXC0 1/20 0.32
PTPN1 P18031 1/20 0.30
PPARA Q07869 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30

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
SCHEMBL8912767 0.95 PLOD2 (0.45) PLOD2CES2CES1PLOD3PLOD1
SCHEMBL8911819 0.89 PLOD2 (0.49) PLOD2CES2CES1PLOD3PLOD1
SCHEMBL8911587 0.89 PLOD2 (0.41) PLOD2CES2CES1PLOD3PLOD1
SCHEMBL8911872 0.88 PLOD2 (0.47) PLOD2CES2CES1PLOD3PLOD1
SCHEMBL8911944 0.85 PLOD2 (0.40) PLOD2CES2CES1PLOD3PLOD1
SCHEMBL8911964 0.84 PLOD2 (0.41) PLOD2CES2CES1PLOD3PLOD1
SCHEMBL8911868 0.82 PLOD2 (0.42) PLOD2CES2CES1PLOD3PLOD1
SCHEMBL1999729 0.82 PLOD2 (0.56) PLOD2CES1PLOD3PLOD1KDM4E
SCHEMBL8912078 0.81 CES2 (0.48) PLOD2CES2PLOD3PLOD1MAPT
SCHEMBL8913602 0.81 RAB9A (0.39) PLOD2PLOD3PLOD1MEN1KMT2A

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