SCHEMBL8911024

SCHEMBL8911024

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
TACR1 P25103 2/20 0.40
GAA P10253 1/20 0.39
RHOC P08134 5/20 0.39
RHOA P61586 5/20 0.39
PTPN1 P18031 1/20 0.37
P2RX1 P51575 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PLOD2 O00469 2/20 0.36
LMNA P02545 1/20 0.36
NOTUM Q6P988 1/20 0.36
JUN P05412 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL8913540 0.87 CES2 (0.48) CES2TACR1GAARHOCRHOA
SCHEMBL8912040 0.86 CES2 (0.47) CES2TACR1GAARHOCRHOA
SCHEMBL8911566 0.83 RAB9A (0.38) GAAPLOD2CYP3A4PLOD3PLOD1
SCHEMBL23091848 0.80 CES2 (0.55) CES2TACR1GAARHOCRHOA
SCHEMBL29115453 0.80 CES2 (0.55) CES2TACR1GAARHOCRHOA
SCHEMBL23091832 0.79 CES2 (0.64) CES2TACR1GAARHOCRHOA
SCHEMBL29115374 0.77 CES2 (0.52) CES2TACR1GAARHOCRHOA
SCHEMBL8911336 0.77 CES2 (0.52) CES2TACR1GAARHOCRHOA
SCHEMBL8912732 0.76 CES2 (0.43) CES2TACR1GAARHOCRHOA
SCHEMBL4944429 0.74 CES2 (0.57) CES2TACR1GAARHOCRHOA

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