SCHEMBL8913481

SCHEMBL8913481

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.38
NOTUM Q6P988 1/20 0.37
PLOD3 O60568 2/20 0.37
PLOD1 Q02809 2/20 0.37
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
ACP1 P24666 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
SCHEMBL8911789 0.81 PLOD2 (0.46) PLOD2PLOD3PLOD1PKMKDM4E
SCHEMBL8913540 0.80 CES2 (0.48) PLOD2NOTUMPLOD3PLOD1HDAC3
SCHEMBL8912055 0.80 RAB9A (0.39) PLOD2PLOD3PLOD1
SCHEMBL8911919 0.79 PLOD2 (0.40) PLOD2NOTUMPLOD3PLOD1KDM4E
SCHEMBL8911041 0.78 PLOD2 (0.39) PLOD2NOTUMPLOD3PLOD1KDM4E
SCHEMBL8912818 0.77 PLOD2 (0.38) PLOD2NOTUMPLOD3PLOD1KDM4E
SCHEMBL8912050 0.76 GPR139 (0.36) PLOD2NOTUMPLOD3PLOD1
SCHEMBL1682776 0.76 KMT2A (0.55) PLOD2PLOD3PLOD1KDM4E
SCHEMBL8911810 0.75 PLOD2 (0.37) PLOD2NOTUMPLOD3PLOD1HDAC3
SCHEMBL8910998 0.75 PLOD2 (0.41) PLOD2PLOD3PLOD1

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