SCHEMBL8413010

SCHEMBL8413010

CCCCCCCC/C=C/CCCCCCCC(=O)OCCCCCCCCCCCC(O)CC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 2/20 0.61
FFAR1 O14842 1/20 0.56
FFAR4 Q5NUL3 1/20 0.56
LPAR1 Q92633 7/20 0.55
LPAR4 Q99677 3/20 0.55
LPAR2 Q9HBW0 3/20 0.55
LPAR3 Q9UBY5 3/20 0.55
ENPP2 Q13822 2/20 0.55
LPAR5 Q9H1C0 2/20 0.55
CES2 O00748 1/20 0.55
LPAR6 P43657 1/20 0.55
TRPV1 Q8NER1 1/20 0.55
MGLL Q99685 1/20 0.53
FAAH O00519 3/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
CNR1 P21554 1/20 0.52
PRKCE Q02156 1/20 0.52
PRKCQ Q04759 1/20 0.52

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
SCHEMBL11506862 0.96 DGKA (0.63) DGKAFFAR1FFAR4LPAR1LPAR4
SCHEMBL18968293 0.92 DGKA (0.62) DGKAFFAR1FFAR4LPAR1LPAR4
SCHEMBL18968294 0.92 DGKA (0.62) DGKAFFAR1FFAR4LPAR1LPAR4
SCHEMBL18968401 0.92 DGKA (0.62) DGKAFFAR1FFAR4LPAR1LPAR4
SCHEMBL18969548 0.92 DGKA (0.62) DGKAFFAR1FFAR4LPAR1LPAR4
SCHEMBL25340998 0.91 FFAR1 (0.69) DGKAFFAR1FFAR4LPAR1LPAR4
SCHEMBL3960493 0.91 FFAR1 (0.69) DGKAFFAR1FFAR4LPAR1LPAR4
SCHEMBL1278170 0.91 FFAR1 (0.69) DGKAFFAR1FFAR4LPAR1LPAR4
SCHEMBL3657211 0.91 FFAR1 (0.69) DGKAFFAR1FFAR4LPAR1LPAR4
SCHEMBL3659434 0.91 FFAR1 (0.69) DGKAFFAR1FFAR4LPAR1LPAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5959145-A 12-(METHOXY)DODECANOIC ACID. WASHINGTON UNIVERSITY (US) 1999-09-28 US disclosed
US-5871954-A ACYLATION OF PEPTIDE OR PROTEIN BY REACTING WITH COENZYME A ESTER OF AN OXY- OR THIO-SUBSTITUTED FATTY ACID ANALOG IN PRESENCE OF N-MYRISTOYL TRANSFERASE WASHINGTON UNIVERSITY (US) 1999-02-16 US disclosed
EP-0415902-B1 OXY- OR THIO-SUBSTITUTED FATTY ACID ANALOGS FOR USE IN THE TREATMENT OF RETROVIRAL INFECTIONS WASHINGTON UNIVERSITY (US) 1993-03-17 EP disclosed
EP-0327523-B1 NOVEL FATTY ACID ANALOG ENZYME SUBSTRATES WASHINGTON UNIVERSITY (US) 1992-06-17 EP disclosed
US-5073571-A Oxy or thio substituted fatty acid or ester WASHINGTON UNIVERSITY (US) 1991-12-17 US disclosed
EP-0327523-A1 Novel fatty acid analog enzyme substrates WASHINGTON UNIVERSITY (US) 1989-08-09 EP disclosed