Erucic Acid

Erucic Acid

SCHEMBL8923003

CCCCCCCCC=CCCCCCCCCCCCC(=O)O.O=S(=O)(O)O

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 1/20 0.85
SLC6A2 known ✓ P23975 1/20 0.85
PPARG P37231 5/20 0.85
PPARD Q03181 5/20 0.85
PPARA Q07869 5/20 0.85
F7 P08709 5/20 0.85
F3 P13726 5/20 0.85
TERT O14746 3/20 0.85
PTPN1 P18031 3/20 0.85
HSD17B10 Q99714 3/20 0.85
FABP4 P15090 3/20 0.85
TOP1 P11387 3/20 0.85
MAPT P10636 2/20 0.85
BLM P54132 2/20 0.85
LMNA P02545 2/20 0.85
ALOX15 P16050 2/20 0.85
DUSP3 P51452 2/20 0.85
CYP19A1 P11511 2/20 0.85
PTGS1 P23219 2/20 0.85
NR4A2 P43354 2/20 0.85

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
Oleic Acid SCHEMBL1080939 1.00 PPARG (0.85) PPARGPPARDPPARAF7F3
Oleic Acid SCHEMBL1080934 1.00 PPARG (0.85) PPARGPPARDPPARAF7F3
Erucic Acid SCHEMBL8922990 1.00 PPARG (0.85) PPARGPPARDPPARAF7F3
Oleic Acid SCHEMBL29625346 0.98 PPARG (0.82) PPARGPPARDPPARAF7F3
Oleic Acid SCHEMBL15533448 0.98 PPARG (0.82) PPARGPPARDPPARAF7F3
Oleic Acid SCHEMBL28443484 0.98 PPARG (0.82) PPARGPPARDPPARAF7F3
Oleic Acid SCHEMBL15533452 0.98 PPARG (0.82) PPARGPPARDPPARAF7F3
Oleic Acid SCHEMBL8883809 0.98 PPARG (0.82) PPARGPPARDPPARAF7F3
Oleic Acid SCHEMBL7686922 0.98 PPARG (0.82) PPARGPPARDPPARAF7F3
Oleic Acid SCHEMBL7686916 0.98 PPARG (0.82) PPARGPPARDPPARAF7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0652271-A1 Well fluid additive BAKER HUGHES INCORPORATED (US) 1995-05-10 EP claimed
US-5658860-A LUBRICATING DRILL WITH OIL IN WATER EMULSION HAVING WATER PHASE CONTAINING SULFURIZED ALCOHOL DISSOLVED IN WATER SOLUBLE ALCOHOL SOLVENT BAKER HUGHES INCORPORATED (US) 1997-08-19 US disclosed
US-5586608-A Method of making an anti-bit balling well fluid using a polyol having a cloud point, and method of drilling BAKER HUGHES INCORPORATED (US) 1996-12-24 US disclosed
WO-1996040836-A1 METHOD OF MAKING AN ANTI-BIT BALLING WELL FLUID USING A POLYOL HAVING A CLOUD POINT, AND METHOD OF DRILLING BAKER HUGHES INCORPORATED (US) 1996-12-19 WO disclosed
EP-0652271-A1 Well fluid additive BAKER HUGHES INCORPORATED (US) 1995-05-10 EP disclosed