SCHEMBL6536747

SCHEMBL6536747

CCCCCCCCNCC(O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.57
FFAR1 O14842 1/20 0.57
ANPEP P15144 1/20 0.50
ERAP2 Q6P179 1/20 0.50
S1PR2 O95136 6/20 0.47
S1PR4 O95977 6/20 0.47
S1PR1 P21453 6/20 0.47
S1PR3 Q99500 6/20 0.47
LCK P06239 1/20 0.46
PPARD Q03181 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
EPHX1 P07099 7/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
S1PR5 Q9H228 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42

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
SCHEMBL7601346 1.00 GPR84 (0.57) GPR84FFAR1ANPEPERAP2S1PR2
SCHEMBL27613272 0.98 GPR84 (0.53) GPR84FFAR1ANPEPERAP2S1PR2
SCHEMBL24177263 0.84 ANPEP (0.44) GPR84FFAR1ANPEPERAP2S1PR2
SCHEMBL18696910 0.82 ANPEP (0.47) GPR84FFAR1ANPEPERAP2S1PR2
SCHEMBL8863556 0.81 GPR84 (0.62) GPR84FFAR1S1PR2S1PR4S1PR1
SCHEMBL5595652 0.81 ACE2 (0.52) GPR84ANPEPERAP2S1PR2S1PR4
SCHEMBL22426296 0.81 ACE2 (0.52) GPR84ANPEPERAP2S1PR2S1PR4
SCHEMBL11433232 0.81 ACE2 (0.52) GPR84ANPEPERAP2S1PR2S1PR4
SCHEMBL28114267 0.81 ACE2 (0.52) GPR84ANPEPERAP2S1PR2S1PR4
Lactic Acid SCHEMBL5425195 0.80 ALDH1A1 (0.54) GPR84FFAR1S1PR2S1PR4S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385593-A4 PROCESS FOR OBTAINING AN ORGANIC ACID FROM AN ORGANIC ACID AMMONIUM SALT, AN ORGANIC ACID AMIDE, OR AN ALKYLAMINE ORGANIC ACID COMPLEX STALEY MFG CO A E (US) 2004-08-11 EP disclosed
EP-1385593-A1 PROCESS FOR OBTAINING AN ORGANIC ACID FROM AN ORGANIC ACID AMMONIUM SALT, AN ORGANIC ACID AMIDE, OR AN ALKYLAMINE ORGANIC ACID COMPLEX A.E. STALEY MANUFACTURING COMPANY (US) 2004-02-04 EP disclosed
WO-2002074403-A1 PROCESS FOR OBTAINING AN ORGANIC ACID FROM AN ORGANIC ACID AMMONIUM SALT, AN ORGANIC ACID AMIDE, OR AN ALKYLAMINE ORGANIC ACID COMPLEX A.E. STALEY MANUFACTURING CO. (US) 2002-09-26 WO disclosed