SCHEMBL8912196

SCHEMBL8912196

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.44
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
SLC6A3 Q01959 1/20 0.37
PLOD3 O60568 2/20 0.36
PLOD1 Q02809 2/20 0.36
HTT P42858 2/20 0.31
MAPT P10636 2/20 0.31
TSHR P16473 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
USP2 O75604 1/20 0.31
VNN1 O95497 1/20 0.30
MDM2 Q00987 1/20 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
SCHEMBL8911964 0.91 PLOD2 (0.41) PLOD2CES2CES1SLC6A3PLOD3
SCHEMBL8911868 0.86 PLOD2 (0.42) PLOD2CES2CES1SLC6A3PLOD3
SCHEMBL8911789 0.83 PLOD2 (0.46) PLOD2CES2CES1SLC6A3PLOD3
SCHEMBL8911819 0.83 PLOD2 (0.49) PLOD2CES2CES1SLC6A3PLOD3
SCHEMBL8911872 0.81 PLOD2 (0.47) PLOD2CES2CES1SLC6A3PLOD3
SCHEMBL8911577 0.80 PLOD2 (0.46) PLOD2CES2CES1SLC6A3PLOD3
SCHEMBL8912767 0.79 PLOD2 (0.45) PLOD2CES2CES1SLC6A3PLOD3
SCHEMBL8910631 0.77 GPR139 (0.36) PLOD2PLOD3PLOD1
SCHEMBL19367869 0.74 CES1 (0.59) PLOD2CES2CES1SLC6A3HTT
SCHEMBL8912732 0.74 CES2 (0.43) PLOD2CES2PLOD3PLOD1MAPT

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