SCHEMBL11601442

SCHEMBL11601442

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

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.51
▸ FFAR1 O14842 2/20 0.51
▸ GPR84 Q9NQS5 5/20 0.45
▸ FAAH O00519 3/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SOAT1 P35610 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL11602008 0.89 FFAR4 (0.69) FFAR4FFAR1GPR84FAAHMEN1
SCHEMBL11601264 0.89 FFAR4 (0.69) FFAR4FFAR1GPR84FAAHMEN1
SCHEMBL4964157 0.89 FFAR4 (0.69) FFAR4FFAR1GPR84FAAHMEN1
SCHEMBL11602010 0.89 FFAR4 (0.69) FFAR4FFAR1GPR84FAAHMEN1
SCHEMBL11602268 0.85 L3MBTL1 (0.52) FFAR4FFAR1GPR84FAAHMEN1
SCHEMBL11602265 0.83 ACE2 (0.51) FFAR4FFAR1GPR84FAAH
SCHEMBL11601305 0.83 DNM1 (0.49) FFAR4FFAR1MEN1KMT2A
SCHEMBL19475125 0.83 FFAR4 (0.71) FFAR4FFAR1GPR84FAAHNFKB1
SCHEMBL21585875 0.83 FFAR4 (0.71) FFAR4FFAR1GPR84FAAHNFKB1
SCHEMBL19475126 0.83 FFAR4 (0.71) FFAR4FFAR1GPR84FAAHNFKB1

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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