SCHEMBL9717491

SCHEMBL9717491

CCC(=Cc1ccc(OCCCCCC(=O)O)c(Cl)c1Cl)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.41
CYSLTR1 Q9Y271 3/20 0.41
PPARG P37231 9/20 0.41
PPARA Q07869 4/20 0.41
TRPA1 O75762 1/20 0.41
FBP1 P09467 1/20 0.41
THRB P10828 2/20 0.40
THRA P10827 1/20 0.40
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL9717485 1.00 CYSLTR2 (0.41) CYSLTR2CYSLTR1PPARGPPARATRPA1
SCHEMBL9721410 1.00 CYSLTR2 (0.41) CYSLTR2CYSLTR1PPARGPPARATRPA1
SCHEMBL9717590 0.99 CYSLTR2 (0.40) CYSLTR2CYSLTR1PPARGPPARATRPA1
SCHEMBL9717589 0.99 CYSLTR2 (0.40) CYSLTR2CYSLTR1PPARGPPARATRPA1
SCHEMBL9717583 0.99 CYSLTR2 (0.40) CYSLTR2CYSLTR1PPARGPPARATRPA1
SCHEMBL9717525 0.95 FFAR4 (0.41) CYSLTR2CYSLTR1PPARGPPARATRPA1
SCHEMBL9717519 0.95 FFAR4 (0.41) CYSLTR2CYSLTR1PPARGPPARATRPA1
SCHEMBL9717532 0.95 FFAR4 (0.41) CYSLTR2CYSLTR1PPARGPPARATRPA1
SCHEMBL9717566 0.92 LMNA (0.39) CYSLTR2CYSLTR1PPARGPPARATRPA1
SCHEMBL9717559 0.92 LMNA (0.39) CYSLTR2CYSLTR1PPARGPPARATRPA1

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-0240256-B1 COMPOUNDS USEFUL IN TREATING SICKLE CELL ANEMIA MERCK & CO. INC. (US) 1992-04-29 EP disclosed
US-4751244-A NITROALKENYL CARBOXYLIC ACIDS MERCK & CO., INC. (US) 1988-06-14 US disclosed
EP-0240256-A2 Compounds useful in treating sickle cell anemia MERCK & CO. INC. (US) 1987-10-07 EP disclosed