SCHEMBL9254658

SCHEMBL9254658

CC(=O)OC(C(=O)O)C(O)CCCCCCCCCCCCCCCO

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.37
ALOX5 P09917 1/20 0.36
PTPN1 P18031 2/20 0.36
GPR84 Q9NQS5 4/20 0.35
FFAR1 O14842 2/20 0.35
ABCB1 P08183 1/20 0.34
FFAR4 Q5NUL3 1/20 0.32
CPB2 Q96IY4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPA1 O75762 1/20 0.31
MAPT P10636 1/20 0.31
LCK P06239 1/20 0.31
PPARD Q03181 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL14715568 0.86 GPR84 (0.52) GPR84FFAR1ABCB1FFAR4MAPT
SCHEMBL9539845 0.77 PDE4A (0.40) SMN1; SMN2MAPT
SCHEMBL15902854 0.72 FAAH (0.46) TRPV1ALOX5SMN1; SMN2MAPT
SCHEMBL211967 0.72 USP2 (0.45) TRPV1PTPN1GPR84FFAR1FFAR4
SCHEMBL211338 0.72 USP2 (0.45) TRPV1PTPN1GPR84FFAR1FFAR4
SCHEMBL18322325 0.71 PDE4A (0.41) TRPV1PTPN1GPR84FFAR1FFAR4
SCHEMBL9297279 0.71 PDE4A (0.41) TRPV1PTPN1GPR84FFAR1FFAR4
SCHEMBL1110835 0.71 PDE4A (0.41) TRPV1PTPN1GPR84FFAR1FFAR4
SCHEMBL6542236 0.71 PDE4A (0.41) TRPV1PTPN1GPR84FFAR1FFAR4
SCHEMBL194223 0.71 CAMK2A (0.38) PTPN1GPR84FFAR1FFAR4

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-5380928-A Two step oxidation process for the production of carboxylic acids such as azelaic acid from unsaturated substrates SYNERGISTICS INDUSTRIES, INC. (CA) 1995-01-10 US disclosed