SCHEMBL8912642

SCHEMBL8912642

O=C(CC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
TPMT P51580 1/20 0.39
ERCC5 P28715 2/20 0.36
FEN1 P39748 2/20 0.36
FABP4 P15090 1/20 0.35
P2RX7 Q99572 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KCNH2 Q12809 1/20 0.33
GRN P28799 5/20 0.33
SORT1 Q99523 5/20 0.33
ACP1 P24666 1/20 0.33
PLA2G1B P04054 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32

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
SCHEMBL8912034 0.98 RAB9A (0.41) RAB9ATPMTERCC5FEN1FABP4
SCHEMBL8911364 0.85 DDR1 (0.40) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL8912782 0.76 RAB9A (0.36) RAB9ATPMTERCC5FEN1FABP4
SCHEMBL10560273 0.73 RAB9A (0.41) RAB9ATPMTERCC5FEN1FABP4
SCHEMBL8913304 0.72 VNN1 (0.40) GAAGSK3B
SCHEMBL8912916 0.71 DDR1 (0.38) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL2644679 0.71 TPMT (0.56) RAB9ATPMTERCC5FEN1FABP4
SCHEMBL12788976 0.70 TPMT (0.48) RAB9ATPMTERCC5FEN1FABP4
SCHEMBL1198757 0.69 GSK3B (0.61) RAB9ATPMTFABP4GSK3BHCAR1
SCHEMBL10364574 0.68 NPSR1 (0.49) RAB9AFABP4P2RX7MEN1KMT2A

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