SCHEMBL11795062

SCHEMBL11795062

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.54
▸ FFAR1 O14842 2/20 0.54
▸ GPR84 Q9NQS5 5/20 0.47
▸ FAAH O00519 3/20 0.46
▸ NFKB1 P19838 1/20 0.45
▸ SOAT1 P35610 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TBXA2R P21731 1/20 0.42
▸ PTGFR P43088 1/20 0.42
▸ PTGER2 P43116 1/20 0.42
▸ KDM4E B2RXH2 2/20 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
SCHEMBL11791284 0.91 FFAR4 (0.69) FFAR4FFAR1GPR84FAAHMEN1
SCHEMBL11791279 0.91 FFAR4 (0.69) FFAR4FFAR1GPR84FAAHMEN1
SCHEMBL11791276 0.91 FFAR4 (0.69) FFAR4FFAR1GPR84FAAHMEN1
SCHEMBL11796421 0.85 ACE2 (0.51) FFAR4FFAR1GPR84FAAHNFKB1
SCHEMBL11790008 0.85 PRSS1 (0.53) FFAR4FFAR1MEN1KMT2AKDM4E
SCHEMBL227566 0.85 FFAR4 (0.71) FFAR4FFAR1GPR84FAAHNFKB1
SCHEMBL19475125 0.85 FFAR4 (0.71) FFAR4FFAR1GPR84FAAHNFKB1
Octadecanoic Acid Amide SCHEMBL5617445 0.85 FFAR4 (0.71) FFAR4FFAR1GPR84FAAHNFKB1
SCHEMBL19066822 0.85 FFAR4 (0.71) FFAR4FFAR1GPR84FAAHNFKB1
SCHEMBL21585875 0.85 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 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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