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SCHEMBL11602265

SCHEMBL11602265

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

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 1/20 0.51
▸ FFAR1 O14842 2/20 0.47
▸ FFAR4 Q5NUL3 1/20 0.47
▸ FAAH O00519 2/20 0.46
▸ GPR84 Q9NQS5 8/20 0.45
▸ 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
SCHEMBL11601264 0.86 FFAR4 (0.69) FFAR1FFAR4FAAHGPR84
SCHEMBL11602010 0.86 FFAR4 (0.69) FFAR1FFAR4FAAHGPR84
SCHEMBL4964157 0.86 FFAR4 (0.69) FFAR1FFAR4FAAHGPR84
SCHEMBL11602008 0.86 FFAR4 (0.69) FFAR1FFAR4FAAHGPR84
SCHEMBL11604151 0.83 GPR84 (0.50) ACE2FFAR1FFAR4FAAHGPR84
SCHEMBL11601442 0.83 FFAR4 (0.51) FFAR1FFAR4FAAHGPR84
SCHEMBL8586725 0.83 ACE2 (0.71) ACE2FFAR1FFAR4FAAHGPR84
SCHEMBL12092729 0.83 ACE2 (0.66) ACE2FFAR1FFAR4FAAHGPR84
SCHEMBL13730236 0.83 ACE2 (0.71) ACE2FFAR1FFAR4FAAHGPR84
SCHEMBL293989 0.83 ACE2 (0.71) 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 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
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