SCHEMBL28537993

SCHEMBL28537993

C=CC(=O)NC(C)(C)C(CC(C)=O)S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 1/20 0.30

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
SCHEMBL456586 0.80 TSHR (0.34) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL18329148 0.78 MEN1 (0.35) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL1702497 0.76 TSHR (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL4637933 0.75 TSHR (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL1001811 0.75 TSHR (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL26192645 0.75 ALDH1A1 (0.31) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL8524798 0.73 TSHR (0.35) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL18107148 0.72 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
Ammonia Solution, Strong SCHEMBL8523447 0.72 TSHR (0.34) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL8576089 0.71 TSHR (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112403282-B Amphiphilic polypropylene porous membrane and preparation method and application thereof 中国石油化工股份有限公司 2022-06-03 CN disclosed
CN-112403282-A Amphiphilic polypropylene porous membrane and preparation method and application thereof 中国石油化工股份有限公司 2021-02-26 CN disclosed