SCHEMBL28021992

SCHEMBL28021992

O=C1CCN(C(=O)O)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.68
RAB9A P51151 2/20 0.68
HTT P42858 1/20 0.60
NOTUM Q6P988 3/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 6/20 0.47
TSHR P16473 3/20 0.47
TP53 P04637 2/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.44
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
GAA P10253 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL842907 0.85 HPGD (0.64) LMNARAB9AHTTNOTUMMEN1
SCHEMBL9956661 0.84 LMNA (0.58) LMNARAB9AHTTNOTUMMEN1
SCHEMBL68594 0.84 NOTUM (0.72) LMNARAB9AHTTNOTUMALDH1A1
SCHEMBL31562020 0.83 LMNA (0.66) LMNARAB9AHTTNOTUMMEN1
SCHEMBL7003872 0.81 NOTUM (0.73) LMNARAB9AHTTNOTUMMEN1
SCHEMBL2337155 0.81 LMNA (0.48) LMNARAB9AHTTNOTUMMEN1
SCHEMBL10869086 0.80 LMNA (0.55) LMNARAB9AHTTNOTUMMEN1
SCHEMBL608410 0.78 NOTUM (0.54) LMNARAB9AHTTNOTUMMEN1
SCHEMBL983021 0.78 RAB9A (0.69) LMNARAB9AHTTNOTUMMEN1
SCHEMBL23705411 0.77 LMNA (0.45) LMNARAB9AHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115698035-A Inhibitors of norovirus and coronavirus replication 共晶制药公司 2023-02-03 CN disclosed
CN-110840847-B Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2022-07-29 CN disclosed
CN-107438593-B Therapeutic compounds and uses thereof 基因泰克公司 2020-10-30 CN disclosed
CN-111671751-A Pharmaceutical compositions for treating CFTR-mediated diseases 沃泰克斯药物股份有限公司 2020-09-18 CN disclosed
CN-106163517-B Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2020-08-14 CN disclosed
CN-105848657-B Methods of making pharmaceutical compositions for treating CFTR mediated diseases 沃泰克斯药物股份有限公司 2020-05-22 CN disclosed
CN-110840847-A Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2020-02-28 CN disclosed
CN-106163517-A Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2016-11-23 CN disclosed
CN-104869982-A Pharmaceutical compositions for treating CFTR-mediated diseases VERTEX PHARMA 2015-08-26 CN disclosed