SCHEMBL28041741

SCHEMBL28041741

CC(C)(OC(N)=O)[C@@H](CCO)c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
HIF1A Q16665 1/20 0.40
BLM P54132 1/20 0.40
AOC3 Q16853 1/20 0.38
CASP1 P29466 1/20 0.36
CXCL8 P10145 2/20 0.34
NISCH Q9Y2I1 1/20 0.34
HSD11B1 P28845 1/20 0.34
ACP3 P15309 1/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
KMT2A Q03164 1/20 0.33
PRSS1 P07477 1/20 0.32
CTSG P08311 1/20 0.32
CTRB1 P17538 1/20 0.32
CMA1 P23946 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
SCHEMBL28041531 1.00 ADRB2 (0.40) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL28041725 0.87 ADRB2 (0.39) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL28041593 0.87 ADRB2 (0.39) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL28041560 0.84
SCHEMBL28041745 0.84 CES2 (0.37) ADRB2ADRB1KMT2A
SCHEMBL28041730 0.83 ADRB2 (0.36) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL28041735 0.83 ADRB2 (0.36) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL27664743 0.80 RIPK1 (0.42) CYP2D6ATM
SCHEMBL28041724 0.76
SCHEMBL30375131 0.75 ADRB2 (0.42) ADRB2ADRB1CYP2D6NFKB1HIF1A

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-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