SCHEMBL28126094

SCHEMBL28126094

CC(=O)Oc1ccc(C(=O)CBr)c(C)c1C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.43
▸ CFD P00746 2/20 0.41
▸ KDM4E B2RXH2 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTPN1 P18031 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ PTGS2 P35354 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ PTGS1 P23219 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36

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
SCHEMBL28125896 0.84 KDM4E (0.50) CFDKDM4ESMN1; SMN2RAB9AMAPT
SCHEMBL28126089 0.78 MAPT (0.59) HPGDSKDM4ESMN1; SMN2RAB9AMAPT
SCHEMBL5707733 0.74 PPARG (0.47) CFDKDM4EMAPTKMT2APTPN1
SCHEMBL8050658 0.72 PTGS2 (0.62) HPGDSCFDKDM4EMEN1KMT2A
SCHEMBL27264247 0.72 CFD (0.54) CFDKDM4ERAB9AMAPTPTPN1
SCHEMBL11015630 0.72 KDM4E (0.66) HPGDSCFDKDM4ERAB9AMAPT
SCHEMBL11692172 0.70 LMNA (0.62) HPGDSKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL12553224 0.70 POLB (0.53) CFDKDM4ESMN1; SMN2RAB9AMEN1
SCHEMBL10336107 0.70 KDM4E (0.53) CFDKDM4ESMN1; SMN2RAB9AMAPT
SCHEMBL28053446 0.69 GSK3B (0.40) HPGDSKDM4EMEN1KMT2APTPN1

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-106380409-A Preparation method of leverbuterol and its salt 北京嘉事联博医药科技有限公司 2017-02-08 — — CN disclosed
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