Stearic Acid

Stearic Acid

SCHEMBL5280838

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2].[O-2].[O-2].[Ti+4]

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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The experimentally established mechanism targets of Stearic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 7/20 0.69
CA1 P00915 1/20 0.68
CES2 O00748 4/20 0.64
CES1 P23141 4/20 0.64
NFKB1 P19838 1/20 0.55
FFAR3 O14843 1/20 0.55
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 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
Nonanoate SCHEMBL5590408 0.97 FABP3 (0.72) FABP3CA1CES2CES1NFKB1
Stearic Acid SCHEMBL9710145 0.97 FABP3 (0.72) FABP3CA1CES2CES1NFKB1
SCHEMBL8742990 0.97 FABP3 (0.72) FABP3CA1CES2CES1NFKB1
Stearic Acid SCHEMBL12487272 0.97 FABP3 (0.72) FABP3CA1CES2CES1NFKB1
Stearic Acid SCHEMBL5032895 0.97 FABP3 (0.72) FABP3CA1CES2CES1NFKB1
Heptadecanoic Acid SCHEMBL869938 0.97 FABP3 (0.72) FABP3CA1CES2CES1NFKB1
N-Octacosanoic Acid SCHEMBL945953 0.97 FABP3 (0.72) FABP3CA1CES2CES1NFKB1
Pentadecanoic Acid SCHEMBL870275 0.97 FABP3 (0.72) FABP3CA1CES2CES1NFKB1
Dodecanoate SCHEMBL914943 0.97 FABP3 (0.72) FABP3CA1CES2CES1NFKB1
Behenic Acid SCHEMBL1707610 0.97 FABP3 (0.72) FABP3CA1CES2CES1NFKB1

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
EP-1858531-A1 USE OF COPPER SILICATE FOR THE CONTROL OF HERPES INFECTIONS CONVE LTD (AU) 2007-11-28 EP disclosed
WO-2006096937-A1 USE OF COPPER SILICATE FOR THE CONTROL OF HERPES INFECTIONS CONVE LTD (AU) 2006-09-21 WO disclosed