SCHEMBL9683423

SCHEMBL9683423

C=C(C)C(=O)OC(=C=O)CN

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 3/20 0.35
THRB P10828 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3621687 0.74 ALDH1A1 (0.44) ALDH1A1TSHRTHRBTDP1HSD17B10
SCHEMBL8828271 0.74 ALDH1A1 (0.44) ALDH1A1TSHRTHRBTDP1HSD17B10
SCHEMBL15963 0.69 ALDH1A1 (0.61) ALDH1A1TSHRTHRBTDP1HSD17B10
SCHEMBL28170047 0.69 ALDH1A1 (0.61) ALDH1A1TSHRTHRBTDP1HSD17B10
SCHEMBL9683206 0.69 TSHR (0.34) ALDH1A1TSHRHSD17B10
SCHEMBL9701488 0.68 ALDH1A1 (0.38) ALDH1A1TSHRTHRBTDP1HSD17B10
SCHEMBL3977846 0.68 ALDH1A1 (0.52) ALDH1A1TSHRTHRBTDP1HSD17B10
SCHEMBL8953021 0.67 ALDH1A1 (0.58) ALDH1A1TSHRTHRBTDP1HSD17B10
Hydrochloric Acid SCHEMBL17099626 0.67 ALDH1A1 (0.58) ALDH1A1TSHRTHRBTDP1HSD17B10
SCHEMBL31415277 0.67 ALDH1A1 (0.58) ALDH1A1TSHRTHRBTDP1HSD17B10

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-0468643-A1 Process for the preparation of acrylates THE BRITISH PETROLEUM COMPANY P.L.C. (GB) 1992-01-29 EP disclosed