Octadecanoic Acid Amide

Octadecanoic Acid Amide

SCHEMBL28061586

CCCCCCCCCCCCCCCCCC(N)=O.O=C(O)c1cc(O)c(O)c(O)c1

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
TP53 P04637 2/20 0.55
CA12 O43570 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
LMNA P02545 1/20 0.55
CA3 P07451 1/20 0.55
MAPT P10636 1/20 0.55
SELL P14151 1/20 0.55
HPGD P15428 1/20 0.55
SELP P16109 1/20 0.55
FUT4 P22083 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
DPP4 P27487 1/20 0.55
MAPK1 P28482 1/20 0.55
CA5A P35218 1/20 0.55
SNCA P37840 1/20 0.55
CA7 P43166 1/20 0.55

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
Palmitamide SCHEMBL27766475 1.00 KDM4E (0.55) KDM4ETP53CA12ALDH1A1CA1
Gallic Acid SCHEMBL28061584 1.00 KDM4E (0.55) KDM4ETP53CA12ALDH1A1CA1
Dodecane SCHEMBL27849180 0.90 TP53 (0.68) KDM4ETP53CA12ALDH1A1CA1
Palmitic Acid SCHEMBL28219590 0.89 GPR84 (0.57) KDM4ETP53CA12ALDH1A1CA1
Gallic Acid SCHEMBL28250431 0.89 GPR84 (0.57) KDM4ETP53CA12ALDH1A1CA1
Stearic Acid SCHEMBL10892935 0.89 GPR84 (0.57) KDM4ETP53CA12ALDH1A1CA1
Dodecanoate SCHEMBL28210493 0.89 GPR84 (0.57) KDM4ETP53CA12ALDH1A1CA1
SCHEMBL9979092 0.88 PLA2G2A (0.54) KDM4ETP53ALDH1A1HSD17B10TDP1
SCHEMBL9978990 0.88 PLA2G2A (0.54) KDM4ETP53ALDH1A1HSD17B10TDP1
SCHEMBL9979319 0.88 PLA2G2A (0.54) KDM4ETP53ALDH1A1HSD17B10TDP1

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-104371775-B A kind of method of compositions of additives and Dresel fuel compositions and raising oxidation stability of biodiesel SINOPEC CORP. (CN) 2016-05-25 CN claimed
CN-104371775-B A kind of method of compositions of additives and Dresel fuel compositions and raising oxidation stability of biodiesel SINOPEC CORP. (CN) 2016-05-25 CN disclosed