SCHEMBL2912810

SCHEMBL2912810

CCCC(CC(=O)O)S(=O)(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.35
TDP1 Q9NUW8 2/20 0.34
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
MMP2 P08253 6/20 0.31
MMP3 P08254 5/20 0.31
MMP1 P03956 4/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4726212 0.83 GPR84 (0.32) GPR84TDP1CHRM1AKR1A1CHRM3
SCHEMBL24237659 0.78 CA12 (0.33)
SCHEMBL11545034 0.76 HDAC1 (0.44) GPR84TDP1CHRM1AKR1A1CHRM3
SCHEMBL4726215 0.76 GPR84 (0.32) GPR84TDP1CHRM1AKR1A1CHRM3
SCHEMBL5038575 0.73 CHRM1 (0.41) GPR84TDP1CHRM1AKR1A1CHRM3
SCHEMBL5033928 0.73 CHRM1 (0.41) GPR84TDP1CHRM1AKR1A1CHRM3
SCHEMBL4726218 0.70 GPR84 (0.33) GPR84TDP1CHRM1AKR1A1CHRM3
SCHEMBL8330667 0.68 TDP1 (0.37) TDP1ALDH1A1
SCHEMBL499817 0.68 GPR84 (0.39) GPR84TDP1CHRM1AKR1A1CHRM3
SCHEMBL12315571 0.68 CA1 (0.32)

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
EP-2222630-A1 PROCESSES TO PREGABALIN Generics (UK) Limited (GB) 2010-09-01 EP disclosed
WO-2009081208-A1 PROCESSES TO PREGABALIN GENERICS [UK] LIMITED (GB) 2009-07-02 WO disclosed