SCHEMBL8911944

SCHEMBL8911944

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.40
NOTUM Q6P988 1/20 0.33
PLOD3 O60568 2/20 0.33
PLOD1 Q02809 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
THRB P10828 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
SCHEMBL8911810 0.91 PLOD2 (0.37) PLOD2NOTUMPLOD3PLOD1CA1
SCHEMBL8912767 0.90 PLOD2 (0.45) PLOD2PLOD3PLOD1CA1CA2
SCHEMBL8911568 0.88 PLOD2 (0.41) PLOD2NOTUMPLOD3PLOD1CES2
SCHEMBL8912818 0.86 PLOD2 (0.38) PLOD2NOTUMPLOD3PLOD1CA1
SCHEMBL8911577 0.85 PLOD2 (0.46) PLOD2PLOD3PLOD1CES2CES1
SCHEMBL10874116 0.84 PLOD2 (0.42) PLOD2NOTUMPLOD3PLOD1CES2
SCHEMBL8911919 0.80 PLOD2 (0.40) PLOD2NOTUMPLOD3PLOD1
SCHEMBL8911041 0.79 PLOD2 (0.39) PLOD2NOTUMPLOD3PLOD1
SCHEMBL8911587 0.78 PLOD2 (0.41) PLOD2PLOD3PLOD1CES2CES1
SCHEMBL10874718 0.78 HTT (0.50) PLOD2PLOD3PLOD1CES2CES1

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