SCHEMBL10904686

SCHEMBL10904686

CCOCC(=O)OC(Br)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL10907112 0.83 ALDH1A1 (0.33) TRPA1ALDH1A1
SCHEMBL7313166 0.79 MEN1 (0.36) TRPA1ALDH1A1
SCHEMBL5607572 0.79 LMNA (0.47) ALDH1A1
SCHEMBL16861340 0.75 USP2 (0.33) ALDH1A1
SCHEMBL1663930 0.75 ALDH1A1 (0.46) ALDH1A1
SCHEMBL9937292 0.73 FAAH (0.31) ALDH1A1
SCHEMBL9936945 0.71 CES2 (0.31)
SCHEMBL9937228 0.71 GAA (0.33) ALDH1A1
SCHEMBL12588874 0.69 TSHR (0.43) ALDH1A1
SCHEMBL12680039 0.69

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-4602012-A Cephalosporin antibiotics GLAXO GROUP LIMITED (GB) 1986-07-22 US disclosed