SCHEMBL16958715

SCHEMBL16958715

CCCc1ccc(OC(F)(F)F)cc1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
FFAR4 Q5NUL3 1/20 0.40
LMNA P02545 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
RUNX1 Q01196 1/20 0.38
GPR3 P46089 2/20 0.38
VDR P11473 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
KIF11 P52732 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 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
SCHEMBL16959631 0.87 FFAR4 (0.44) PTGS1PTGS2FFAR4LMNANR1H2
SCHEMBL3872156 0.86 FFAR4 (0.45) FFAR4RUNX1GPR3KIF11
SCHEMBL178278 0.83 FFAR4 (0.44) PTGS1PTGS2FFAR4LMNANR1H2
SCHEMBL23055180 0.81 PDE2A (0.47) PTGS1PTGS2FFAR4LMNAHRH4
SCHEMBL14959716 0.80 ADRB2 (0.44) PTGS1PTGS2FFAR4LMNAHRH4
SCHEMBL16961512 0.80 GPR3 (0.41) PTGS1PTGS2FFAR4LMNAHRH4
SCHEMBL21835675 0.80 FFAR4 (0.41) FFAR4RUNX1GPR3KIF11
SCHEMBL16952197 0.80 KDM4E (0.44) POLB
SCHEMBL16954408 0.79 LMNA (0.39) PTGS1PTGS2LMNAHRH4NR1H2
SCHEMBL20526613 0.79 HRH4 (0.43) PTGS1PTGS2FFAR4LMNAHRH4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed