SCHEMBL11051243

SCHEMBL11051243

CCC(C(=O)O)=C(O)C#N

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.43
GRIK1 P39086 1/20 0.33
GRIA4 P48058 1/20 0.33
GRIK3 Q13003 1/20 0.33
GRIK5 Q16478 1/20 0.33
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
THRB P10828 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
PGGT1B P53609 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
SCHEMBL18730440 0.80 FFAR3 (0.36) FFAR3GRIK1GRIA4GRIK3GRIK5
SCHEMBL42603 0.74 FFAR3 (0.53) FFAR3GRIK1GRIA4GRIK3GRIK5
SCHEMBL42601 0.74 FFAR3 (0.53) FFAR3GRIK1GRIA4GRIK3GRIK5
SCHEMBL101165 0.74 FFAR3 (0.53) FFAR3GRIK1GRIA4GRIK3GRIK5
SCHEMBL4636490 0.73 ALDH1A1 (0.31) FFAR3ALDH1A1TSHR
SCHEMBL541121 0.73 GRIK1 (0.33) FFAR3GRIK1GRIA4GRIK3GRIK5
Propionic Acid SCHEMBL5160394 0.73 FFAR3 (0.62) FFAR3ALDH1A1TSHRTDP1
Hydrochloric Acid SCHEMBL9622192 0.72 FFAR3 (0.50) FFAR3GRIK1GRIA4GRIK3GRIK5
SCHEMBL305428 0.72 FFAR3 (0.50) FFAR3GRIK1GRIA4GRIK3GRIK5
SCHEMBL304061 0.72 FFAR3 (0.50) FFAR3GRIK1GRIA4GRIK3GRIK5

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-4431790-A REACTION PRODUCT OF POLYOXYALKYLENEPOLYAMINE, HYDROXY-ACRYLIC DERIVATIVE, EPOXIDE TEXACO INC. (US) 1984-02-14 US disclosed