SCHEMBL8912818

SCHEMBL8912818

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

nearest known ligand 0.38

Predicted protein targets (top 19)

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
KDM4E B2RXH2 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL8911810 0.95 PLOD2 (0.37) PLOD2NOTUMPLOD3PLOD1CA1
SCHEMBL8911919 0.90 PLOD2 (0.40) PLOD2NOTUMPLOD3PLOD1KDM4E
SCHEMBL8911041 0.88 PLOD2 (0.39) PLOD2NOTUMPLOD3PLOD1KDM4E
SCHEMBL8911944 0.86 PLOD2 (0.40) PLOD2NOTUMPLOD3PLOD1CA1
SCHEMBL4599442 0.83 PLOD2 (0.49) PLOD2PLOD3PLOD1CA1CA2
SCHEMBL8911577 0.81 PLOD2 (0.46) PLOD2PLOD3PLOD1KDM4EHDAC3
SCHEMBL1999729 0.80 PLOD2 (0.56) PLOD2PLOD3PLOD1KDM4EHDAC1
SCHEMBL8912078 0.80 CES2 (0.48) PLOD2NOTUMPLOD3PLOD1HDAC3
SCHEMBL8913602 0.80 RAB9A (0.39) PLOD2PLOD3PLOD1ACP1
SCHEMBL8911568 0.80 PLOD2 (0.41) PLOD2NOTUMPLOD3PLOD1KDM4E

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