SCHEMBL29258840

SCHEMBL29258840

COc1cc(C(=O)O)cc(NCC2CCO2)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 5/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ ROCK2 O75116 1/20 0.39

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
SCHEMBL29258838 1.00 HCAR3 (0.43) HCAR3KDM4EHPGDKMT2AMEN1
SCHEMBL27176929 0.91 KDM4E (0.42) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL30966515 0.88 ALDH1A1 (0.47) HCAR3KDM4EHPGDKMT2AALDH1A1
SCHEMBL30269431 0.85 KDM4E (0.50) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL29157314 0.85 HCAR3 (0.46) HCAR3KDM4EHPGDKMT2AMEN1
SCHEMBL29157312 0.85 HCAR3 (0.46) HCAR3KDM4EHPGDKMT2AMEN1
SCHEMBL27205413 0.84 HCAR3 (0.39) HCAR3KDM4EHPGDKMT2AALDH1A1
SCHEMBL27176958 0.84 HCAR3 (0.39) HCAR3KDM4EHPGDKMT2AALDH1A1
SCHEMBL29170127 0.82 HCAR3 (0.53) HCAR3KDM4EHPGDKMT2AMEN1
SCHEMBL29170125 0.82 HCAR3 (0.53) HCAR3KDM4EHPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344349-A 4-Alkoxybenzimidazole-6-carboxylic acid derivatives as GLP-1 receptor agonists 中国科学院上海药物研究所 2024-07-16 — — CN disclosed
CN-118103366-A Certain 2, 5-diazabicyclo [4.2.0] octanes as GLP-1 receptor modulators 阿斯利康(瑞典)有限公司 2024-05-28 — — CN disclosed
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