Heptadecanoic Acid

Heptadecanoic Acid

SCHEMBL7554093

CCCCCCCCCCCCCCCCC(=O)[O-].C[N+](C)(C)c1ccccc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 7/20 0.53
CES2 O00748 2/20 0.53
CES1 P23141 2/20 0.53
PPARG P37231 1/20 0.47
CA1 P00915 1/20 0.46
EPHX2 P34913 1/20 0.45

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 SCHEMBL29612108 1.00 FABP3 (0.53) FABP3CES2CES1PPARGCA1
Undecanoate SCHEMBL7553877 1.00 FABP3 (0.53) FABP3CES2CES1PPARGCA1
Decanoic Acid SCHEMBL28384641 0.87 PPARG (0.59) FABP3PPARG
Myristic Acid SCHEMBL28387565 0.87 PPARG (0.59) FABP3PPARG
Butyric Acid SCHEMBL21957824 0.86 HDAC3 (0.52) CES2CES1CA1
Decanoic Acid SCHEMBL29611469 0.86 FABP3 (0.51) FABP3CES2CES1PPARGEPHX2
Octanoic Acid SCHEMBL2807929 0.85 CES2 (0.57) FABP3CES2CES1PPARGCA1
Dodecanoate SCHEMBL10935524 0.85 CES2 (0.57) FABP3CES2CES1PPARGCA1
Decanoic Acid SCHEMBL10862164 0.85 CES2 (0.57) FABP3CES2CES1PPARGCA1
Stearic Acid SCHEMBL9346351 0.84 DNM1 (0.48) FABP3CES2CES1EPHX2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667366-B1 Process for the production of aromatic polycarbonate TEIJIN LTD (JP) 2002-06-26 EP disclosed
US-5516878-A CATALYTIC ESTER INTERCHANGE USING AN ALKALI METAL SALT OF AN ATE-COMPLEX OF A METAL SELECTED FROM SILICON, GERMANIUM, TIN, OR LEAD TEIJIN LIMITED (JP) 1996-05-14 US disclosed
EP-0667366-A2 Process for the production of aromatic polycarbonate TEIJIN LIMITED (JP) 1995-08-16 EP disclosed