SCHEMBL8911364

SCHEMBL8911364

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 10/20 0.40
SLC13A3 Q8WWT9 1/20 0.39
ACLY P53396 1/20 0.39
MEN1 O00255 1/20 0.39
PLA2G1B P04054 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
CES2 O00748 1/20 0.39
RHOC P08134 4/20 0.38
RHOA P61586 4/20 0.38
P2RX1 P51575 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL8912916 0.87 DDR1 (0.38) DDR1SLC13A3ACLYMEN1PLA2G1B
SCHEMBL8912034 0.86 RAB9A (0.41) MEN1PLA2G1BCYP1A2CYP3A4GAA
SCHEMBL8912642 0.85 RAB9A (0.40) MEN1PLA2G1BCYP1A2CYP3A4GAA
SCHEMBL8913304 0.83 VNN1 (0.40) DDR1GAACES2HDAC3HDAC1
SCHEMBL10875582 0.79 P2RX1 (0.40) MEN1CYP3A4GAAKMT2ACES2
SCHEMBL766063 0.79 GSK3B (0.56) DDR1SLC13A3ACLYMEN1PLA2G1B
SCHEMBL27873685 0.75 DDR1 (0.48) DDR1SLC13A3ACLYMEN1PLA2G1B
SCHEMBL23091832 0.72 CES2 (0.64) GAACES2RHOCRHOAP2RX1
SCHEMBL29556456 0.71 TPMT (0.61) DDR1ACLYCES2HDAC3HDAC1
SCHEMBL978457 0.71 TPMT (0.61) DDR1ACLYCES2HDAC3HDAC1

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