SCHEMBL15512431

SCHEMBL15512431

C=CC(=O)C=C(C#N)CC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL1958551 0.76
SCHEMBL2598212 0.71
SCHEMBL31165295 0.70 LMNA (0.32) ALDH1A1TSHR
SCHEMBL20803090 0.70
SCHEMBL18856315 0.69
SCHEMBL5993851 0.69
SCHEMBL28433544 0.68 CYP2C9 (0.56) ALDH1A1TSHRTDP1
SCHEMBL10954770 0.67
SCHEMBL10954775 0.67
SCHEMBL23098224 0.67

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
EP-2173529-B1 PROCESS OF MANUFACTURING A MASTERBATCH LEFRANT RUBCO SOC (FR) 2014-03-12 EP claimed