SCHEMBL24092279

SCHEMBL24092279

CC(C)(C)OC(=O)NC1C(O)[C@H](O)C(CO)O[C@@H]1OC1O[C@H](C[C@@H](O)[C@H]2O[C@@H](N3C=CC(O)NC3=O)[C@H](O)[C@@H]2O)C(O)C(O)[C@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CD69 Q07108 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ P2RY14 Q15391 1/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ P2RY2 P41231 1/20 0.31
▸ P2RY4 P51582 1/20 0.31
▸ P2RY6 Q15077 1/20 0.31
▸ TK2 O00142 1/20 0.30

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
SCHEMBL24092278 0.81 MEN1 (0.37) MEN1KMT2AAPEX1MAPTSMN1; SMN2
SCHEMBL23125423 0.81 P2RY14 (0.50) MEN1KMT2AAPEX1P2RY14P2RY2
SCHEMBL24092283 0.81 P2RY14 (0.50) MEN1KMT2AAPEX1P2RY14P2RY2
SCHEMBL22024081 0.79 MEN1 (0.41) MEN1KMT2AAPEX1MAPTSMN1; SMN2
SCHEMBL22023500 0.77 SMN1; SMN2 (0.40) MEN1KMT2AAPEX1MAPTSMN1; SMN2
SCHEMBL20415965 0.70 P2RY14 (0.61) MEN1KMT2AAPEX1MAPTSMN1; SMN2
SCHEMBL22024013 0.70 P2RY14 (0.61) MEN1KMT2AAPEX1MAPTSMN1; SMN2
SCHEMBL24092376 0.70 P2RY14 (0.61) MEN1KMT2AAPEX1MAPTSMN1; SMN2
SCHEMBL20833069 0.70 CDA (0.47) MAPTTHRB
SCHEMBL6674416 0.70 CDA (0.47) MAPTTHRB

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
EP-3634974-B1 TUNICAMYCIN ANALOGUES UNIV OXFORD INNOVATION LTD (GB) 2021-12-15 — — EP disclosed
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