SCHEMBL27633145

SCHEMBL27633145

CC(=O)OC(C[N+](C)(C)C)(C(C)=O)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
CHRM1 P11229 3/20 0.37
CHRM5 P08912 2/20 0.37
CHRM3 P20309 2/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
TBXA2R P21731 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PGR P06401 1/20 0.37
HTR1A P08908 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNA10 Q9GZZ6 1/20 0.37
CHRNA9 Q9UGM1 1/20 0.37
GALR3 O60755 3/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL8056425 0.76 GAA (0.61) GAACHRM1CHRM5CHRM3CHRM2
SCHEMBL1342800 0.74 GAA (0.43) GAACHRM1CHRM5CHRM3CHRM2
SCHEMBL7752776 0.71 GAA (0.44) GAATSHR
SCHEMBL29285418 0.71 GAA (0.36) GAACHRM1CHRM5CHRM3CHRM2
SCHEMBL28009881 0.66 MEN1 (0.36) GAACHRM1CHRM5CHRM3CHRM2
SCHEMBL4783808 0.65 TSHR (0.33) GAACHRM1CHRM5CHRM3CHRM2
SCHEMBL5745064 0.64 GAA (0.42) GAA
SCHEMBL262119 0.64 ALDH1A1 (0.44) GAATSHRMAPT
SCHEMBL6268572 0.64 LMNA (0.40) CHRM1CHRM5CHRM3CHRM2CHRM4
Hydrochloric Acid SCHEMBL10633358 0.64 ALDH1A1 (0.36) GAACHRM1CHRM5CHRM3CHRM2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113163869-B Non-combustion heating type smoking device 日本烟草产业株式会社 2025-02-11 CN disclosed
CN-113163869-A Non-combustion heating type smoking device 日本烟草产业株式会社 2021-07-23 CN disclosed
CN-105412094-A Compounds, Compositions, And Methods For Preventing Metastasis Of Cancer Cells AKEBIA THERAPEUTICS INC 2016-03-23 CN disclosed
CN-102595896-B Method for improving stability of hypoxia inducible factor-1 alpha AKEBIA THERAPEUTICS INC. (US) 2016-02-17 CN disclosed
CN-102438452-B Compounds and compositions comprising CDK inhibitors and methods for treating cancer UNIV GEORGIA STATE RES FOUND 2015-02-25 CN disclosed
CN-102638983-B Compositions and methods for treating colitis AKEBIA THERAPEUTICS INC 2014-11-26 CN disclosed
CN-103976998-A Compounds, compositions, and methods for preventing metastasis of cancer cells AERPIO THERAPEUTICS INC 2014-08-13 CN disclosed
CN-103717214-A Compounds and compositions for stabilizing hypoxia inducible factor-2 alpha as a method for treating cancer AKEBIA THERAPEUTICS INC 2014-04-09 CN disclosed
CN-102612367-B Prolyl hydroxylase inhibitors AKEBIA THERAPEUTICS INC 2014-02-19 CN disclosed
CN-1802353-A Fluoroalkoxy-substituted 1, 3-dihydro-isoindole compounds and their pharmaceutical uses CELGENE CORP (US) 2006-07-12 CN disclosed