SCHEMBL28555572

SCHEMBL28555572

CC=C(C)C(=O)OC1(c2ccccc2)COC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.36
▸ OPRM1 P35372 4/20 0.34
▸ OPRD1 P41143 3/20 0.34
▸ OPRK1 P41145 3/20 0.34
▸ GAA P10253 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ CHRM2 P08172 3/20 0.32
▸ CHRM4 P08173 3/20 0.32
▸ CHRM5 P08912 3/20 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
SCHEMBL28564476 0.83 ELANE (0.42) MAPTOPRM1OPRD1OPRK1GAA
SCHEMBL26413338 0.79 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL10608672 0.79 LMNA (0.38) OPRM1OPRD1OPRK1LMNAOPRL1
SCHEMBL8990273 0.70 GAA (0.42) OPRM1OPRD1OPRK1GAAOPRL1
SCHEMBL4266772 0.70 — —
SCHEMBL4266776 0.70 — —
SCHEMBL28452149 0.69 ALOX5 (0.49) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL10311814 0.69 ALDH1A1 (0.43) MAPTOPRM1OPRD1OPRK1GAA
SCHEMBL21200176 0.69 CHRNA1 (0.43) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL28555571 0.69 MEN1 (0.38) MAPTLMNATSHRCYP2C19MEN1

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-107207456-B Latent acids and their use 巴斯夫欧洲公司 2021-05-04 — — CN disclosed
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