SCHEMBL11793259

SCHEMBL11793259

CCCCCC(O)CCCN(CCCCCC(C)C(=O)O)C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 1/20 0.53
▸ FFAR1 O14842 2/20 0.49
▸ FFAR4 Q5NUL3 1/20 0.49
▸ FAAH O00519 2/20 0.47
▸ GPR84 Q9NQS5 8/20 0.46
▸ CA1 P00915 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ ZDHHC20 Q5W0Z9 1/20 0.40
▸ ZDHHC2 Q9UIJ5 1/20 0.40

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
SCHEMBL11796421 0.87 ACE2 (0.51) ACE2FFAR1FFAR4FAAHGPR84
SCHEMBL11783707 0.85 FFAR4 (0.71) FFAR1FFAR4FAAHGPR84PPARD
SCHEMBL11783701 0.85 FFAR4 (0.71) FFAR1FFAR4FAAHGPR84PPARD
SCHEMBL11784174 0.85 FFAR4 (0.71) FFAR1FFAR4FAAHGPR84PPARD
SCHEMBL11783712 0.85 FFAR4 (0.71) FFAR1FFAR4FAAHGPR84PPARD
SCHEMBL8586725 0.84 ACE2 (0.71) ACE2FFAR1FFAR4FAAHGPR84
SCHEMBL293989 0.84 ACE2 (0.71) ACE2FFAR1FFAR4FAAHGPR84
SCHEMBL13730236 0.84 ACE2 (0.71) ACE2FFAR1FFAR4FAAHGPR84
SCHEMBL11784233 0.83 GPR84 (0.51) ACE2FFAR1FFAR4FAAHGPR84
SCHEMBL11602265 0.81 ACE2 (0.51) ACE2FFAR1FFAR4FAAHGPR84

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
US-3987091-A RENAL VASODILATORS MERCK & CO., INC. (US) 1976-10-19 — — US disclosed
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