SCHEMBL8988966

SCHEMBL8988966

CCOC(=O)C(C=C(CBr)CCOC)NC=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL8988956 1.00 TRPA1 (0.32) TRPA1ALDH1A1
SCHEMBL8988983 0.88 ALDH1A1 (0.33) TRPA1ALDH1A1
SCHEMBL8989139 0.88 ALDH1A1 (0.33) TRPA1ALDH1A1
SCHEMBL8988976 0.88 ALDH1A1 (0.33) TRPA1ALDH1A1
SCHEMBL8988777 0.85 TRPA1 (0.33) TRPA1ALDH1A1
SCHEMBL8988782 0.85 TRPA1 (0.33) TRPA1ALDH1A1
SCHEMBL8989148 0.85 TRPA1 (0.35) TRPA1ALDH1A1
SCHEMBL8989154 0.85 TRPA1 (0.35) TRPA1ALDH1A1
SCHEMBL8988804 0.83 ALDH1A1 (0.35) ALDH1A1
SCHEMBL8988807 0.83 ALDH1A1 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5488140-A ANTICONVULSANTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
US-5294734-A 1-phosphato-4-amino-pent-2-enoic acids and derivatives CIBA-GEIGY CORP. (US) 1994-03-15 US disclosed