SCHEMBL28324835

SCHEMBL28324835

C=CC(=O)NC(C)(C)Cc1ccc(OC(=O)C(C)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
ACACB O00763 3/20 0.43
THRB P10828 4/20 0.40
THRA P10827 2/20 0.38
ELANE P08246 2/20 0.37
TGM2 P21980 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
TEAD1 P28347 1/20 0.33
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
BTK Q06187 1/20 0.32

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
SCHEMBL28324836 0.87 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP2C9CYP2C19ACACB
SCHEMBL20763320 0.79 ALDH1A1 (0.70) ALDH1A1CYP3A4CYP2C9CYP2C19ACACB
SCHEMBL7873834 0.77 CYP3A4 (0.72) ALDH1A1CYP3A4CYP2C9CYP2C19THRB
SCHEMBL20763322 0.77 ALDH1A1 (0.63) ALDH1A1CYP3A4CYP2C9CYP2C19ACACB
SCHEMBL7209012 0.77 CYP3A4 (1.00) ALDH1A1CYP3A4CYP2C9CYP2C19THRB
SCHEMBL20763187 0.74 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP2C9CYP2C19ACACB
SCHEMBL20763052 0.74 ALDH1A1 (0.67) ALDH1A1CYP3A4CYP2C9CYP2C19ACACB
SCHEMBL20763189 0.72 ALDH1A1 (0.63) ALDH1A1CYP3A4CYP2C9CYP2C19ACACB
SCHEMBL18372369 0.69 THRB (0.63) ALDH1A1CYP3A4CYP2C9CYP2C19THRB
SCHEMBL5567657 0.69 ACACB (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110352186-B Acrylamide photoinitiator 科洛普拉斯特公司 2022-10-04 CN disclosed
CN-111032102-B Polymer coatings 科洛普拉斯特公司 2022-03-22 CN disclosed
CN-111032102-A Polymer coatings 科洛普拉斯特公司 2020-04-17 CN disclosed
CN-110352186-A Acrylamide photoinitiator 科洛普拉斯特公司 2019-10-18 CN disclosed