SCHEMBL9717633

SCHEMBL9717633

O=Cc1ccc(OC2(C(=O)O)CCC2)c(Cl)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.33
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL9717517 0.77 MEN1 (0.30)
SCHEMBL9717526 0.77 MEN1 (0.30)
SCHEMBL9717522 0.77 MEN1 (0.30)
SCHEMBL20570936 0.75 TDP1 (0.42) MAP4K4
SCHEMBL9717529 0.75
SCHEMBL9717540 0.75
SCHEMBL9717538 0.75
SCHEMBL2563226 0.73 TTR (0.42) MAP4K4
SCHEMBL2562038 0.72 TTR (0.41) MAP4K4
SCHEMBL9717510 0.72 THRB (0.43)

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