SCHEMBL10695619

SCHEMBL10695619

CCCCCCCC(C(=O)O)C(CCN)P(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 2/20 0.49
FDPS P14324 4/20 0.47
S1PR2 O95136 5/20 0.45
S1PR1 P21453 5/20 0.45
S1PR3 Q99500 5/20 0.45
S1PR4 O95977 4/20 0.45
GPR84 Q9NQS5 3/20 0.43
FFAR1 O14842 1/20 0.43
MAPT P10636 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41

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
SCHEMBL9715231 0.94 FDPS (0.44) LAP3FDPS
SCHEMBL10690985 0.82 GABRR1 (0.41) LAP3
SCHEMBL9485764 0.77 FDPS (0.53) LAP3FDPSS1PR2S1PR1S1PR3
SCHEMBL9486354 0.77 FDPS (0.53) LAP3FDPSS1PR2S1PR1S1PR3
SCHEMBL9066915 0.75 GPR84 (0.64) GPR84FFAR1MAPTLCKPPARD
SCHEMBL338186 0.75 GPR84 (0.64) GPR84FFAR1MAPTLCKPPARD
SCHEMBL5547897 0.75 GPR84 (0.64) GPR84FFAR1MAPTLCKPPARD
SCHEMBL337767 0.75 GPR84 (0.64) GPR84FFAR1MAPTLCKPPARD
SCHEMBL337012 0.75 GPR84 (0.64) GPR84FFAR1MAPTLCKPPARD
SCHEMBL37192 0.75 GPR84 (0.64) GPR84FFAR1MAPTLCKPPARD

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-0266978-A2 Novel antibacterial agents and potentiators of carbapenem antibiotics MERCK & CO. INC. (US) 1988-05-11 EP disclosed