SCHEMBL8911587

SCHEMBL8911587

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.41
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
GPR139 Q6DWJ6 1/20 0.35
CACNA1H O95180 5/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PLOD3 O60568 2/20 0.33
PLOD1 Q02809 2/20 0.33
METAP2 P50579 1/20 0.33
RAB9A P51151 1/20 0.33
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
PLA2G1B P04054 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL8913602 0.91 RAB9A (0.39) PLOD2CACNA1HMEN1KMT2APLOD3
SCHEMBL8911577 0.89 PLOD2 (0.46) PLOD2MEN1KMT2APLOD3PLOD1
SCHEMBL8911624 0.86 RAB9A (0.38) PLOD2CACNA1HMEN1KMT2APLOD3
SCHEMBL8912767 0.84 PLOD2 (0.45) PLOD2MEN1KMT2APLOD3PLOD1
SCHEMBL8911395 0.81 RAB9A (0.41) PLOD2CACNA1HMEN1KMT2APLOD3
SCHEMBL8910998 0.79 PLOD2 (0.41) PLOD2TAS1R3TAS1R1TAS1R2GPR139
SCHEMBL8911819 0.79 PLOD2 (0.49) PLOD2MEN1KMT2APLOD3PLOD1
SCHEMBL6344726 0.78 ERCC5 (0.50) PLOD2MEN1KMT2APLOD3PLOD1
SCHEMBL8911944 0.78 PLOD2 (0.40) PLOD2PLOD3PLOD1CES2CES1
SCHEMBL8911872 0.78 PLOD2 (0.47) PLOD2MEN1KMT2APLOD3PLOD1

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