SCHEMBL11275111

SCHEMBL11275111

CCN(CC)OC(=O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.32
KDM6B O15054 1/20 0.30
KDM5C P41229 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30

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
Water SCHEMBL5856464 0.97 FFAR3 (0.30) FFAR3
SCHEMBL6846231 0.86 LMNA (0.32) FFAR3
Methacrylic Acid SCHEMBL28320009 0.80 ALDH1A1 (0.39)
SCHEMBL27982960 0.77 KDM6B (0.33) FFAR3KDM6BKDM5CEGLN1PHF8
SCHEMBL184943 0.75 ALDH1A1 (0.44)
SCHEMBL1401231 0.75
SCHEMBL22699493 0.75
SCHEMBL4340641 0.75 ALDH1A1 (0.38) FFAR3
Acetic Acid SCHEMBL1170525 0.74 ALDH1A1 (0.38) FFAR3KDM6BKDM5CEGLN1PHF8
Acetic Acid SCHEMBL28716667 0.74 ALDH1A1 (0.38) FFAR3KDM6BKDM5CEGLN1PHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4316903-A BACTERICIDES AND FUNGICIDES MERCK & CO., INC. (US) 1982-02-23 US disclosed
US-4273781-A Treatment of pain, fever, and inflammation with compositions containing piperidinobutan-and 3-buten-2-ones MERCK & CO., INC. (US) 1981-06-16 US disclosed
US-4250184-A ANTIARTHRITIC AGENTS; SKIN DISORDERS; GOUT; RHEUMATIC DISEASES MERCK & CO., INC. (US) 1981-02-10 US disclosed
US-4145426-A FUNGICIDES, BACTERICIDES MERCK & CO., INC. (US) 1979-03-20 US disclosed