SCHEMBL8913540

SCHEMBL8913540

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
TACR1 P25103 2/20 0.42
GAA P10253 1/20 0.41
PTPN1 P18031 1/20 0.39
P2RX1 P51575 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PLOD2 O00469 2/20 0.38
RHOC P08134 1/20 0.37
RHOA P61586 1/20 0.37
LMNA P02545 1/20 0.37
NOTUM Q6P988 1/20 0.37
MAPT P10636 1/20 0.37
PLOD3 O60568 1/20 0.37
PLOD1 Q02809 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL8911024 0.87 CES2 (0.46) CES2TACR1GAAPTPN1P2RX1
SCHEMBL8912040 0.85 CES2 (0.47) CES2TACR1GAAPTPN1P2RX1
SCHEMBL23091848 0.82 CES2 (0.55) CES2TACR1GAAPTPN1P2RX1
SCHEMBL29115453 0.82 CES2 (0.55) CES2TACR1GAAPTPN1P2RX1
SCHEMBL23091832 0.82 CES2 (0.64) CES2TACR1GAAPTPN1P2RX1
SCHEMBL8912732 0.81 CES2 (0.43) CES2TACR1GAAPTPN1P2RX1
SCHEMBL8911789 0.81 PLOD2 (0.46) CES2PTPN1PLOD2LMNAMAPT
SCHEMBL8912055 0.80 RAB9A (0.39) GAAPLOD2PLOD3PLOD1MEN1
SCHEMBL8913481 0.80 PLOD2 (0.38) HDAC3HDAC8HDAC6PLOD2NOTUM
SCHEMBL29115374 0.79 CES2 (0.52) CES2TACR1GAAPTPN1P2RX1

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