Ethoxycarbonyl Group

Ethoxycarbonyl Group

SCHEMBL28294731

CCOC=O.N#Cc1cc(NC(=O)c2ccccc2)ccc1N1CCNCC1

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
HPGD P15428 3/20 0.52
MAPT P10636 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
RXFP1 Q9HBX9 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CHRM1 P11229 1/20 0.48
NPY2R P49146 6/20 0.44
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
KLKB1 P03952 1/20 0.42
PRSS1 P07477 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41

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
Ethoxycarbonyl Group SCHEMBL28296409 0.83 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL28294730 0.81 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL28744889 0.80 MAPT (0.58) ALDH1A1MEN1KMT2AHPGDMAPT
Ethoxycarbonyl Group SCHEMBL28294735 0.79 HRH4 (0.38) ALDH1A1MEN1KMT2AHPGDMAPT
Ethoxycarbonyl Group SCHEMBL28873297 0.77 GAA (0.48) ALDH1A1HPGDMAPTSMN1; SMN2HSD17B10
Ethoxycarbonyl Group SCHEMBL28296379 0.77 HTR6 (0.37) ALDH1A1MEN1KMT2AMAPTRXFP1
Ethoxycarbonyl Group SCHEMBL28957488 0.76 GAA (0.42) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL4005605 0.74 NPY2R (0.62) ALDH1A1MEN1KMT2AHPGDMAPT
Ethoxycarbonyl Group SCHEMBL27714025 0.73 MAPT (0.54) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL6309797 0.69 HTR5A (0.56) ALDH1A1HPGDSMN1; SMN2HSD17B10CHRM1

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-109651297-A A kind of N- benzyl-N- aryl sulfonic acid amides analog derivative and preparation and application 杭州壹瑞医药科技有限公司 2019-04-19 CN disclosed