SCHEMBL10324705

SCHEMBL10324705

[CH2]C(O)C(OCOC)c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.40
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
AOC3 Q16853 1/20 0.40
CYP2D6 P10635 2/20 0.39
NFKB1 P19838 1/20 0.39
HIF1A Q16665 1/20 0.39
BLM P54132 1/20 0.38
NISCH Q9Y2I1 1/20 0.35
IDO1 P14902 2/20 0.33
TDO2 P48775 2/20 0.33
IDO2 Q6ZQW0 2/20 0.33
CYP19A1 P11511 2/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL20604434 0.86 ADRB2 (0.44) CASP1ADRB2ADRB1AOC3CYP2D6
SCHEMBL248196 0.86 ADRB2 (0.44) CASP1ADRB2ADRB1AOC3CYP2D6
SCHEMBL10323549 0.86 ADRB2 (0.44) CASP1ADRB2ADRB1AOC3CYP2D6
SCHEMBL10323379 0.86 ADRB2 (0.44) CASP1ADRB2ADRB1AOC3CYP2D6
SCHEMBL27900787 0.86 ADRB2 (0.44) CASP1ADRB2ADRB1AOC3CYP2D6
SCHEMBL20604519 0.86 ADRB2 (0.44) CASP1ADRB2ADRB1AOC3CYP2D6
SCHEMBL10323550 0.86 ADRB2 (0.44) CASP1ADRB2ADRB1AOC3CYP2D6
SCHEMBL15540273 0.83 ADRB2 (0.39) CASP1ADRB2ADRB1AOC3CYP2D6
SCHEMBL23347608 0.79 ADRB2 (0.37) CASP1ADRB2ADRB1AOC3CYP2D6
SCHEMBL16054709 0.79 ADRB2 (0.38) CASP1ADRB2ADRB1AOC3CYP2D6

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
WO-2012096458-A2 PROCESS FOR PREPARATION OF PHENYL CARBAMATE DERIVATIVES BIO-PHARM SOLUTIONS CO., LTD. (KR) 2012-07-19 WO disclosed