SCHEMBL28041758

SCHEMBL28041758

CC(O)C(COC(N)=O)c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.45
CYP1A2 P05177 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2D6 P10635 2/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
ADRB2 P07550 4/20 0.41
ADRB1 P08588 4/20 0.41
AOC3 Q16853 1/20 0.41
ADRB3 P13945 2/20 0.39
CXCL8 P10145 1/20 0.39
NFKB1 P19838 1/20 0.37
HIF1A Q16665 1/20 0.37
NISCH Q9Y2I1 1/20 0.36
BLM P54132 1/20 0.36
NPC1 O15118 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
SCHEMBL28041546 1.00 CASP1 (0.45) CASP1CYP1A2SMN1; SMN2CYP2D6PKM
SCHEMBL28041733 1.00 CASP1 (0.45) CASP1CYP1A2SMN1; SMN2CYP2D6PKM
SCHEMBL27918589 0.86 CASP1 (0.43) CASP1CYP1A2SMN1; SMN2CYP2D6PKM
SCHEMBL27900779 0.86 CASP1 (0.43) CASP1CYP1A2SMN1; SMN2CYP2D6PKM
SCHEMBL27900869 0.86 CASP1 (0.43) CASP1CYP1A2SMN1; SMN2CYP2D6PKM
Carisbamate SCHEMBL8741086 0.84 ADRB2 (0.49) CASP1CYP1A2SMN1; SMN2CYP2D6PKM
Carisbamate SCHEMBL8741032 0.84 ADRB2 (0.49) CASP1CYP1A2SMN1; SMN2CYP2D6PKM
SCHEMBL13879248 0.83 CASP1 (0.48) CASP1CYP1A2SMN1; SMN2CYP2D6PKM
Carisbamate SCHEMBL1037665 0.81 AOC3 (0.49) CASP1CYP1A2SMN1; SMN2CYP2D6PKM
Carisbamate SCHEMBL2425732 0.81 AOC3 (0.49) CASP1CYP1A2SMN1; SMN2CYP2D6PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111419830-B Phenylalkylcarbamate compounds for use in the prevention or treatment of epilepsy and epileptic related syndromes 比皮艾思药物研发有限公司 2024-01-30 CN disclosed
CN-115996905-A Phenylalkyl carbamate compounds for use in preventing or treating neurodegenerative diseases 生物药品解决方案有限公司 2023-04-21 CN disclosed
CN-105209027-A Phenylalkylcarbamate compounds for use in the prevention or treatment of epilepsy and epilepsy-related syndromes BIO PHARM SOLUTIONS CO LTD 2015-12-30 CN disclosed