SCHEMBL28506992

SCHEMBL28506992

CC(C)(C)NC(=O)OCCOCc1ccc(COCCN=[N+]=[N-])nc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
ABCG2 Q9UNQ0 2/20 0.31
ABCB1 P08183 1/20 0.31
GAA P10253 1/20 0.30
AOC3 Q16853 1/20 0.30
TTR P02766 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
SCHEMBL28512384 0.84 AOC3 (0.34) GAAAOC3
SCHEMBL28505879 0.83 OPRM1 (0.33) OPRM1OPRD1OPRK1ABCG2
SCHEMBL28504576 0.82 GAA (0.34) GAAAOC3
SCHEMBL21107304 0.81 CA12 (0.38) OPRM1OPRD1OPRK1
SCHEMBL29612684 0.81 CA12 (0.38) OPRM1OPRD1OPRK1
SCHEMBL28993860 0.78 TTR (0.32) TTR
SCHEMBL21069517 0.78 CRBN (0.36) OPRM1OPRD1OPRK1ABCG2TTR
SCHEMBL25957714 0.78 MGMT (0.32) OPRM1OPRD1OPRK1ABCG2
SCHEMBL21070193 0.75 MGMT (0.33) OPRM1OPRD1OPRK1ABCG2
SCHEMBL20585898 0.73

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
CN-112105385-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2020-12-18 CN disclosed