SCHEMBL8911568

SCHEMBL8911568

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.41
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
NOTUM Q6P988 1/20 0.35
PLOD3 O60568 2/20 0.34
PLOD1 Q02809 2/20 0.34
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 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
SCHEMBL8911041 0.91 PLOD2 (0.39) PLOD2NOTUMPLOD3PLOD1KDM4E
SCHEMBL8911872 0.89 PLOD2 (0.47) PLOD2CES2CES1PLOD3PLOD1
SCHEMBL8911944 0.88 PLOD2 (0.40) PLOD2CES2CES1NOTUMPLOD3
SCHEMBL10874116 0.86 PLOD2 (0.42) PLOD2CES2CES1NOTUMPLOD3
SCHEMBL8911919 0.82 PLOD2 (0.40) PLOD2NOTUMPLOD3PLOD1KDM4E
SCHEMBL8911819 0.80 PLOD2 (0.49) PLOD2CES2CES1PLOD3PLOD1
SCHEMBL8912818 0.80 PLOD2 (0.38) PLOD2NOTUMPLOD3PLOD1KDM4E
SCHEMBL8911810 0.78 PLOD2 (0.37) PLOD2NOTUMPLOD3PLOD1
SCHEMBL8911577 0.78 PLOD2 (0.46) PLOD2CES2CES1PLOD3PLOD1
SCHEMBL8912767 0.76 PLOD2 (0.45) PLOD2CES2CES1PLOD3PLOD1

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