SCHEMBL11601441

SCHEMBL11601441

CCCCCC(O)CCCCS(=O)(=O)NCCCCCCC(N)=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RELA Q04206 4/20 0.51
FFAR4 Q5NUL3 1/20 0.49
FFAR1 O14842 1/20 0.49
FAAH O00519 2/20 0.45
GPR84 Q9NQS5 5/20 0.43
NFKB1 P19838 1/20 0.41
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA1 P00915 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
SCHEMBL11601260 0.89 FFAR4 (0.65) RELAFFAR4FFAR1FAAHGPR84
SCHEMBL11602007 0.89 FFAR4 (0.65) RELAFFAR4FFAR1FAAHGPR84
SCHEMBL11603766 0.87 CA12 (0.55) RELAFFAR4FFAR1FAAHGPR84
SCHEMBL11602334 0.84 ACE2 (0.49) RELAFFAR4FFAR1FAAHGPR84
SCHEMBL11601301 0.84 DGKA (0.47) RELAFFAR4FFAR1CA2CA12
SCHEMBL19066822 0.81 FFAR4 (0.71) FFAR4FFAR1FAAHGPR84NFKB1
SCHEMBL21585875 0.81 FFAR4 (0.71) FFAR4FFAR1FAAHGPR84NFKB1
SCHEMBL19475125 0.81 FFAR4 (0.71) FFAR4FFAR1FAAHGPR84NFKB1
SCHEMBL19475126 0.81 FFAR4 (0.71) FFAR4FFAR1FAAHGPR84NFKB1
Octadecanoic Acid Amide SCHEMBL5617445 0.81 FFAR4 (0.71) FFAR4FFAR1FAAHGPR84NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4091107-A RENAL VASODILATORS, ANTICLOTTING AGENTS, GROWTH HORMONE RELEASE, REGULATORS OF IMMUNE RESPONSE MERCK & CO., INC. (US) 1978-05-23 US disclosed
US-4033996-A RENAL VASODILATORS, ANTITHROMBOSIS, GROWTH HORMONE RELEASING MERCK & CO., INC. (US) 1977-07-05 US disclosed