SCHEMBL28564476

SCHEMBL28564476

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.42
▸ CHRNB2 P17787 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ OPRM1 P35372 4/20 0.35
▸ OPRD1 P41143 3/20 0.35
▸ OPRK1 P41145 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ OPRL1 P41146 1/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL10311814 0.85 ALDH1A1 (0.43) ELANEOPRM1OPRD1OPRK1GAA
SCHEMBL28555572 0.83 MAPT (0.36) OPRM1OPRD1OPRK1GAAOPRL1
SCHEMBL13347349 0.83 AKR1C1 (0.43) ELANEOPRM1OPRD1OPRK1OPRL1
SCHEMBL1130178 0.81 AKR1C1 (0.42) ELANEOPRM1OPRD1OPRK1OPRL1
SCHEMBL14665587 0.81 ELANE (0.42) ELANEOPRM1OPRD1OPRK1GAA
SCHEMBL10608672 0.80 LMNA (0.38) OPRM1OPRD1OPRK1OPRL1CYP2C19
SCHEMBL24944261 0.79 OPRM1 (0.46) ELANEOPRM1OPRD1OPRK1OPRL1
SCHEMBL1357048 0.75 GAA (0.39) ELANEOPRM1GAACYP2C19LMNA
SCHEMBL1357847 0.73 GAA (0.40) ELANEGAACYP2C19LMNATSHR
SCHEMBL27099946 0.72 OPRM1 (0.39) ELANEOPRM1OPRD1OPRK1GAA

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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