SCHEMBL11029237

SCHEMBL11029237

NC(=O)C=C(C(N)=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.44
LDHB P07195 1/20 0.44
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
FGFR4 P22455 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL11532314 1.00 LDHA (0.44) LDHALDHBALDH1A1TSHRFGFR4
SCHEMBL11029233 1.00 LDHA (0.44) LDHALDHBALDH1A1TSHRFGFR4
SCHEMBL9245441 0.88 LDHA (0.41) LDHALDHBALDH1A1TSHRFGFR4
SCHEMBL7675583 0.84 ALDH1A1 (0.39) LDHALDHBALDH1A1TSHRFGFR4
SCHEMBL27902931 0.82 LDHA (0.44) LDHALDHBALDH1A1TSHRACHE
SCHEMBL7779226 0.82 LDHA (0.44) LDHALDHBALDH1A1TSHRACHE
SCHEMBL28170452 0.74 GLRA1 (0.35) LDHALDHB
SCHEMBL8806343 0.73
SCHEMBL21102071 0.73
SCHEMBL10499752 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0079878-B1 RUBBER COMPOSITIONS AND METHOD OF TREATING RUBBER MONSANTO COMPANY (US) 1985-07-10 EP claimed
EP-0079878-A1 Rubber compositions and method of treating rubber MONSANTO COMPANY (US) 1983-05-25 EP claimed
US-4376189-A Rubber compositions and method of treating rubber MONSANTO COMPANY (US) 1983-03-08 US claimed