SCHEMBL701747

SCHEMBL701747

CCC[C@H](OS(=O)(=O)C(F)(F)F)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARG P37231 4/20 0.37
PPARA Q07869 4/20 0.37
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
NFKB1 P19838 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 1/20 0.32
GRIK1 P39086 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
SCHEMBL700951 1.00 HDAC1 (0.39) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL15619096 1.00 HDAC1 (0.39) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL2326465 0.89 CA2 (0.40) PPARGMAPTSLC1A3SLC1A2SLC1A1
SCHEMBL8911416 0.89 CA2 (0.40) PPARGMAPTSLC1A3SLC1A2SLC1A1
SCHEMBL5693888 0.86 MAPT (0.47) MAPTCA2
SCHEMBL2797629 0.85 SMN1; SMN2 (0.35)
SCHEMBL3069494 0.85 SMN1; SMN2 (0.35)
SCHEMBL2327079 0.85 SMN1; SMN2 (0.35)
SCHEMBL10088095 0.84 CA1 (0.40) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL14003053 0.84 HTT (0.36) HDAC1HDAC2CHRM1AKR1A1CHRM3

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
US-8124634-B2 CB1 receptor modulators 7TM PHARMA A/S (DK) 2012-02-28 US disclosed