SCHEMBL29024463

SCHEMBL29024463

CCCCCC(O)OC(C)NCCCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.39
SPHK1 Q9NYA1 1/20 0.37
FAAH O00519 2/20 0.35
OPRM1 P35372 1/20 0.34
TRPA1 O75762 1/20 0.34
DDAH1 O94760 1/20 0.34
GAPDH P04406 1/20 0.34
MAPT P10636 1/20 0.34
ADRB2 P07550 4/20 0.33
GPR84 Q9NQS5 3/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
FFAR1 O14842 1/20 0.33
CA1 P00915 1/20 0.33
ABCB1 P08183 1/20 0.33
TP53 P04637 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
SCHEMBL1052159 0.80 ACHE (0.32) FAAHOPRM1TRPA1DDAH1GAPDH
SCHEMBL1798860 0.77 GPR84 (0.50) SPHK1OPRM1MAPTGPR84FFAR1
SCHEMBL9295736 0.76 SPHK1 (0.45) SPHK1OPRM1TRPA1DDAH1GAPDH
SCHEMBL2978279 0.75 GPR84 (0.54) SPHK1MAPTGPR84FFAR1TP53
SCHEMBL570306 0.75 GPR84 (0.54) SPHK1MAPTGPR84FFAR1TP53
SCHEMBL3259630 0.75 GPR84 (0.54) SPHK1MAPTGPR84FFAR1TP53
SCHEMBL989675 0.75 GPR84 (0.54) SPHK1MAPTGPR84FFAR1TP53
SCHEMBL2678966 0.75 GPR84 (0.54) SPHK1MAPTGPR84FFAR1TP53
SCHEMBL1598493 0.75 GPR84 (0.54) SPHK1MAPTGPR84FFAR1TP53
SCHEMBL10276905 0.74 SPHK1 (0.48) SPHK1OPRM1MAPTGPR84FFAR1

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
CN-116351213-A Method and system for removing acid gas in ethylene pyrolysis gas 中国石油天然气股份有限公司 2023-06-30 CN claimed
CN-116351213-A Method and system for removing acid gas in ethylene pyrolysis gas 中国石油天然气股份有限公司 2023-06-30 CN disclosed