SCHEMBL17714573

SCHEMBL17714573

CC=CCCCCCC(CC)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ FFAR1 O14842 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42
▸ PPARG P37231 4/20 0.42
▸ TERT O14746 3/20 0.42
▸ PTPN1 P18031 3/20 0.42
▸ PPARD Q03181 3/20 0.42
▸ PPARA Q07869 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ BLM P54132 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ FABP4 P15090 2/20 0.42
▸ F7 P08709 2/20 0.42
▸ F3 P13726 2/20 0.42
▸ GMNN O75496 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL17714572 1.00 CA2 (0.55) CA2MAPK1FFAR1FFAR4PPARG
SCHEMBL2175685 0.98 CA2 (0.57) CA2MAPK1FFAR1FFAR4PPARG
SCHEMBL2175684 0.98 CA2 (0.57) CA2MAPK1FFAR1FFAR4PPARG
Hydrochloric Acid SCHEMBL30192502 0.96 CA2 (0.55) CA2MAPK1FFAR1FFAR4PPARG
SCHEMBL8332015 0.93 CA2 (0.59) CA2MAPK1TERTMAPTBLM
SCHEMBL8332014 0.93 CA2 (0.59) CA2MAPK1TERTMAPTBLM
SCHEMBL9782158 0.88 PPARG (0.53) FFAR1FFAR4PPARGTERTPTPN1
SCHEMBL11572750 0.86 PPARG (0.61) FFAR1FFAR4PPARGTERTPTPN1
SCHEMBL11572092 0.86 PPARG (0.61) FFAR1FFAR4PPARGTERTPTPN1
SCHEMBL29034443 0.86 GRIK1 (0.50) FFAR1FFAR4PPARGTERTPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016065602-A1 INHIBITORS OF RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-05-06 — — WO disclosed
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