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Heptanoate

Heptanoate

SCHEMBL11215461

CC(C)CCCCCC(=O)[O-].CC(C)CCCCCC(=O)[O-].CCCCCCC(=O)[O-].[Sb+3]

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.59
▸ GPR84 Q9NQS5 1/20 0.58
▸ FABP3 P05413 7/20 0.56
▸ CA1 P00915 4/20 0.54
▸ CES2 O00748 3/20 0.50
▸ CES1 P23141 3/20 0.50

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
Decanoic Acid SCHEMBL11216366 1.00 NFKB1 (0.59) NFKB1GPR84FABP3CA1CES2
Myristic Acid SCHEMBL29799260 0.96 NFKB1 (0.59) NFKB1GPR84FABP3CA1CES2
Stearic Acid SCHEMBL28355286 0.96 NFKB1 (0.59) NFKB1GPR84FABP3CA1CES2
Hexane SCHEMBL28007725 0.94 NFKB1 (0.61) NFKB1GPR84FABP3CA1CES2
Hexane SCHEMBL28596931 0.94 NFKB1 (0.61) NFKB1GPR84FABP3CA1CES2
SCHEMBL11241226 0.92 CA1 (0.62) NFKB1GPR84FABP3CA1
SCHEMBL28454183 0.90 CA1 (0.65) NFKB1GPR84FABP3CA1
SCHEMBL1455620 0.88 NFKB1 (0.51) NFKB1GPR84FABP3CA1CES2
SCHEMBL9622580 0.88 NFKB1 (0.51) NFKB1GPR84FABP3CA1CES2
Potassium Ion SCHEMBL25191979 0.88 CA1 (0.62) NFKB1GPR84FABP3CA1

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
US-4361665-A ANTIMONY STABILIZER, ORTHO-DIHYDRIC PHENOL CHAIN STOPPER TENNECO CHEMICALS, INC. (US) 1982-11-30 — — US disclosed
US-4336168-A ORGANIC SULFUR COMPOUNDS TENNECO CHEMICALS, INC. (US) 1982-06-22 — — US disclosed