SCHEMBL11615783

SCHEMBL11615783

CCCCCC(O)CCCC(CCCCC(C)CC(=O)O)C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 7/20 0.56
▸ FFAR4 Q5NUL3 1/20 0.50
▸ FFAR1 O14842 1/20 0.50
▸ ACE2 Q9BYF1 1/20 0.46
▸ FAAH O00519 2/20 0.42
▸ NFKB1 P19838 1/20 0.41
▸ MMP2 P08253 5/20 0.41
▸ MMP3 P08254 5/20 0.41
▸ MMP1 P03956 3/20 0.41
▸ MMP7 P09237 1/20 0.41

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
SCHEMBL11740106 0.87 GPR84 (0.54) GPR84FFAR4FFAR1ACE2FAAH
SCHEMBL30882121 0.82 GPR84 (0.61) GPR84FFAR4FFAR1ACE2
SCHEMBL544052 0.82 GPR84 (0.61) GPR84FFAR4FFAR1ACE2
SCHEMBL7550732 0.81 FFAR4 (0.77) GPR84FFAR4FFAR1FAAH
SCHEMBL11615881 0.81 FFAR4 (0.77) GPR84FFAR4FFAR1FAAH
SCHEMBL11615905 0.81 FFAR4 (0.77) GPR84FFAR4FFAR1FAAH
SCHEMBL11618654 0.81 FFAR4 (0.77) GPR84FFAR4FFAR1FAAH
SCHEMBL11616080 0.81 ACE2 (0.57) GPR84FFAR4FFAR1ACE2FAAH
SCHEMBL23930717 0.80 GPR84 (0.64) GPR84FFAR4FFAR1ACE2
SCHEMBL3423500 0.80 GPR84 (0.64) GPR84FFAR4FFAR1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4097504-A 11,12-Secoprostaglandins MERCK & CO., INC. (US) 1978-06-27 — — US disclosed
US-4092356-A 11,12-Secoprostaglandins MERCK & CO., INC. (US) 1978-05-30 — — US disclosed
US-4066692-A 11,12-SECOPROSTAGLANDINS MERCK & CO., INC. (US) 1978-01-03 — — US disclosed
US-4059601-A VASODILATION, HYPOTENSIVE, ANTITHROMBOSIS MERCK & CO., INC. (US) 1977-11-22 — — US disclosed
US-4059602-A HYPOTENSIVE, VASODILATION, ANTITHROMBOSIS MERCK & CO., INC. (US) 1977-11-22 — — US disclosed
US-3991087-A RENAL VASODILATORS, HYPOTENSIVE AGENTS, ANTITHROMBOTICS MERCK & CO., INC. (US) 1976-11-09 — — US disclosed
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