SCHEMBL19720763

SCHEMBL19720763

COC1CN(C/C=C/C=O)C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL30787619 1.00 TRPA1 (0.33) TRPA1SMN1; SMN2
SCHEMBL30787611 0.86 LTA4H (0.32)
SCHEMBL31029376 0.86 LTA4H (0.32)
SCHEMBL30787602 0.81 KMT2A (0.33) TRPA1
SCHEMBL30433484 0.79
SCHEMBL22198734 0.74
SCHEMBL16901710 0.74 GABRR1 (0.33)
SCHEMBL19190010 0.74 TRPA1 (0.32) TRPA1
SCHEMBL28341443 0.74 TRPA1 (0.32) TRPA1
SCHEMBL19190099 0.72

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-3257848-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY Novartis AG (CH) 2017-12-20 EP disclosed