SCHEMBL29501769

SCHEMBL29501769

CCOC(=O)NCc1ccccc1CNC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
KDM4E B2RXH2 2/20 0.49
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GLA P06280 1/20 0.49
POLB P06746 1/20 0.49
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
HPGD P15428 4/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL28716737 1.00 GAA (0.51) GAAKDM4ETSHRSMN1; SMN2GLA
SCHEMBL5705169 0.90 TSHR (0.49) GAAKDM4ETSHRSMN1; SMN2GLA
SCHEMBL28333253 0.86 HPGD (0.58) GAAKDM4ETSHRSMN1; SMN2POLB
SCHEMBL7539272 0.85 HTT (0.54) GAAKDM4ETSHRSMN1; SMN2GLA
SCHEMBL7538476 0.85 TSHR (0.48) GAAKDM4ETSHRSMN1; SMN2GLA
SCHEMBL28593323 0.85 NPC1 (0.58) TSHRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL27682450 0.83 ALDH1A1 (0.53) GAAKDM4ETSHRSMN1; SMN2HPGD
SCHEMBL6331300 0.83 NPC1 (0.62) TSHRSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL9156343 0.83 CYP1A2 (0.55) GAAKDM4ETSHRSMN1; SMN2HPGD
SCHEMBL29935885 0.83 CYP1A2 (0.55) GAAKDM4ETSHRSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114315649-B Method for purifying ethyl xylylene dicarbamate by melt crystallization 中国科学院过程工程研究所 2022-05-24 CN claimed
CN-114315649-A Method for purifying ethyl xylylene dicarbamate by melt crystallization 中国科学院过程工程研究所 2022-04-12 CN claimed
CN-114315649-B Method for purifying ethyl xylylene dicarbamate by melt crystallization 中国科学院过程工程研究所 2022-05-24 CN disclosed
CN-114315649-B Method for purifying ethyl xylylene dicarbamate by melt crystallization 中国科学院过程工程研究所 2022-05-24 CN disclosed
CN-114315649-A Method for purifying ethyl xylylene dicarbamate by melt crystallization 中国科学院过程工程研究所 2022-04-12 CN disclosed
CN-114315649-A Method for purifying ethyl xylylene dicarbamate by melt crystallization 中国科学院过程工程研究所 2022-04-12 CN disclosed