SCHEMBL11799508

SCHEMBL11799508

CCCCCC(O)CCCN(C#N)CCCCC(C)CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 8/20 0.49
▸ FFAR1 O14842 3/20 0.44
▸ FFAR4 Q5NUL3 2/20 0.44
▸ ACE2 Q9BYF1 1/20 0.41
▸ NFKB1 P19838 1/20 0.40
▸ FAAH O00519 2/20 0.38
▸ CA1 P00915 1/20 0.34
▸ TBXA2R P21731 1/20 0.33
▸ PTGFR P43088 1/20 0.33
▸ PTGER2 P43116 1/20 0.33

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
SCHEMBL11790456 0.84 ACE2 (0.50) GPR84FFAR1FFAR4ACE2NFKB1
SCHEMBL11795536 0.84 FFAR4 (0.67) GPR84FFAR1FFAR4FAAHTBXA2R
SCHEMBL11793908 0.84 FFAR4 (0.67) GPR84FFAR1FFAR4FAAHTBXA2R
SCHEMBL11784233 0.81 GPR84 (0.51) GPR84FFAR1FFAR4ACE2NFKB1
SCHEMBL11604151 0.80 GPR84 (0.50) GPR84FFAR1FFAR4ACE2NFKB1
SCHEMBL11792806 0.80 GPR84 (0.50) GPR84FFAR1FFAR4ACE2NFKB1
SCHEMBL11800869 0.80 FFAR4 (0.42) GPR84FFAR1FFAR4NFKB1FAAH
SCHEMBL11792913 0.79 FFAR1 (0.43) GPR84FFAR1FFAR4NFKB1FAAH
SCHEMBL11795766 0.77 ACACB (0.60) GPR84FFAR1FFAR4ACE2NFKB1
SCHEMBL30882121 0.76 GPR84 (0.61) GPR84FFAR1FFAR4ACE2CA1

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-3989749-A RENAL VASODILATORS, ANTITHROMBUS MERCK & CO., INC. (US) 1976-11-02 — — US disclosed
Send feedback