SCHEMBL28126089

SCHEMBL28126089

CC(=O)c1c(OCc2ccccc2)ccc(C(=O)CBr)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ CA9 Q16790 1/20 0.51
▸ MAOB P27338 4/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ PTGER1 P34995 1/20 0.44
▸ FOLH1 Q04609 1/20 0.44
▸ HPGDS O60760 1/20 0.44
▸ BRD4 O60885 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 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
SCHEMBL5893910 0.84 L3MBTL1 (0.54) MAPTSMN1; SMN2TDP1L3MBTL1CYP2C9
SCHEMBL21436903 0.82 L3MBTL1 (0.58) MAPTSMN1; SMN2TDP1L3MBTL1CYP2C9
SCHEMBL27550697 0.78 PTGER1 (0.60) MAPTSMN1; SMN2TDP1L3MBTL1CYP2C9
SCHEMBL28126094 0.78 HPGDS (0.43) MAPTSMN1; SMN2TDP1L3MBTL1CYP2C9
SCHEMBL18428719 0.77 HPGDS (0.64) MAPTSMN1; SMN2TDP1L3MBTL1CYP2C9
SCHEMBL11113784 0.76 FOLH1 (0.46) MAPTSMN1; SMN2TDP1L3MBTL1CYP2C9
SCHEMBL30194507 0.76 SGMS2 (0.59) MAPTSMN1; SMN2TDP1L3MBTL1PTGER1
SCHEMBL2999130 0.76 SGMS2 (0.59) MAPTSMN1; SMN2TDP1L3MBTL1PTGER1
SCHEMBL590545 0.76 MAPT (0.68) MAPTSMN1; SMN2TDP1L3MBTL1CYP2C9
SCHEMBL21437076 0.76 MCL1 (0.50) MAPTSMN1; SMN2TDP1L3MBTL1CYP2C9

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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