SCHEMBL29135641

SCHEMBL29135641

C[C@@H](CNC(=O)OC(C)(C)C)Oc1ccc(F)cc1COS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 10/20 0.44
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
SYK P43405 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
EPAS1 Q99814 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
NQO2 P16083 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
DHODH Q02127 1/20 0.34

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
SCHEMBL29135644 1.00 MKNK2 (0.44) MKNK2MTNR1AMTNR1BSYKGPR119
SCHEMBL22916190 0.86 MKNK2 (0.49) MKNK2MTNR1AMTNR1BSYKGPR119
SCHEMBL22105276 0.85 MKNK2 (0.48) MKNK2MTNR1AMTNR1BSYKGPR119
SCHEMBL22076313 0.82 MKNK2 (0.38) MKNK2SYKNQO2AAK1
SCHEMBL22076311 0.82 MKNK2 (0.38) MKNK2SYKNQO2AAK1
SCHEMBL29135632 0.80 CA1 (0.47) NQO2
SCHEMBL23134476 0.80 MKNK2 (0.44) MKNK2MTNR1AMTNR1BGPR119EPAS1
SCHEMBL23134567 0.80 MKNK2 (0.49) MKNK2MTNR1AMTNR1BGPR119AAK1
SCHEMBL23134558 0.80 MKNK2 (0.44) MKNK2MTNR1AMTNR1BGPR119EPAS1
SCHEMBL29135633 0.80 AAK1 (0.44) AAK1

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-117229295-A Nitrogen-containing macrocyclic compound, and preparation method and medical application thereof 中国医药研究开发中心有限公司 2023-12-15 CN disclosed