SCHEMBL11792913

SCHEMBL11792913

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.43
▸ CPT2 P23786 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.41
▸ GPR84 Q9NQS5 5/20 0.39
▸ ACACB O00763 1/20 0.38
▸ ACACA Q13085 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ FAAH O00519 1/20 0.36
▸ HSPD1 P10809 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ HSPE1 P61604 1/20 0.34

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
SCHEMBL11795766 0.84 ACACB (0.60) FFAR1FFAR4GPR84ACACBACACA
SCHEMBL11786556 0.82 FFAR1 (0.45) FFAR1CPT2TDP1FFAR4GPR84
SCHEMBL11603619 0.81 FFAR1 (0.44) FFAR1CPT2TDP1FFAR4GPR84
SCHEMBL11792910 0.81 FFAR1 (0.44) FFAR1CPT2TDP1FFAR4GPR84
SCHEMBL11795536 0.81 FFAR4 (0.67) FFAR1TDP1FFAR4GPR84FAAH
SCHEMBL11793908 0.81 FFAR4 (0.67) FFAR1TDP1FFAR4GPR84FAAH
SCHEMBL11799508 0.79 GPR84 (0.49) FFAR1FFAR4GPR84NFKB1FAAH
SCHEMBL11790456 0.78 ACE2 (0.50) FFAR1FFAR4GPR84NFKB1FAAH
SCHEMBL12094526 0.78 FFAR1 (0.69) FFAR1CPT2TDP1FFAR4GPR84
SCHEMBL12094522 0.77 FFAR1 (0.73) FFAR1CPT2TDP1FFAR4GPR84

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
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