Propiolactone

Propiolactone

SCHEMBL28023955

O=C1CCO1.c1ccc(Cn2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.68

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.68
P2RX4 Q99571 3/20 0.65
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 2/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PGR P06401 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MIF P14174 1/20 0.47

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
SCHEMBL30007452 0.82 CYP19A1 (1.00) CYP19A1P2RX4KDM4ESMN1; SMN2MEN1
SCHEMBL151053 0.82 CYP19A1 (1.00) CYP19A1P2RX4KDM4ESMN1; SMN2MEN1
Bromide SCHEMBL28888744 0.80 CYP19A1 (0.95) CYP19A1P2RX4KDM4ESMN1; SMN2MEN1
Ammonia Solution, Strong SCHEMBL29210102 0.80 CYP19A1 (0.95) CYP19A1P2RX4KDM4ESMN1; SMN2MEN1
SCHEMBL9398256 0.80 CYP19A1 (0.95) CYP19A1P2RX4KDM4ESMN1; SMN2MEN1
SCHEMBL10659676 0.80 P2RX4 (0.51) CYP19A1P2RX4KDM4ESMN1; SMN2MEN1
SCHEMBL10660950 0.80 P2RX4 (0.59) CYP19A1P2RX4KDM4ESMN1; SMN2MEN1
SCHEMBL29904927 0.79 P2RX4 (1.00) CYP19A1P2RX4KDM4ESMN1; SMN2MEN1
SCHEMBL14160818 0.79 P2RX4 (1.00) CYP19A1P2RX4KDM4ESMN1; SMN2MEN1
SCHEMBL13957035 0.76 CYP19A1 (0.86) CYP19A1P2RX4CYP1A2CYP2C19HDAC6

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-104744340-A Polysubstituted carbazole compound, preparation method and application thereof PEOPLES UNIV CHINA 2015-07-01 CN disclosed