SCHEMBL8621258

SCHEMBL8621258

O=[C]C(NC(=O)c1coc2cc(O)c(O)cc2c1=O)c1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 18/20 0.48
▸ ALOX15 P16050 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ MAOA P21397 3/20 0.43
▸ ADORA2B P29275 2/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL9329500 0.91 MAOB (0.46) MAOBALOX15ALOX12MAOAADORA2B
SCHEMBL8311797 0.83 MAOB (0.49) MAOBALOX15ALOX12MAOAADORA2B
SCHEMBL8122057 0.82 MAOB (0.48) MAOBALOX15ALOX12MAOAADORA2B
SCHEMBL8122069 0.82 MAOB (0.48) MAOBALOX15ALOX12MAOAADORA2B
Hydrochloric Acid SCHEMBL10516530 0.70 MAOB (0.56) MAOBALOX15ALOX12MAOAADORA2B
SCHEMBL8082564 0.69 MEN1 (0.49) ALOX15
SCHEMBL10517674 0.68 MAOB (0.57) MAOBALOX15ALOX12MAOAADORA2B
SCHEMBL8075796 0.68 GFER (0.46) —
SCHEMBL8628828 0.67 ALOX12 (0.50) MAOBALOX15ALOX12MAOAADORA2B
SCHEMBL8628824 0.67 ALOX12 (0.50) MAOBALOX15ALOX12MAOAADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0503597-B1 Penam derivatives and processes for producing the same OTSUKA KAGAKU KK (JP) 1998-06-10 — — EP disclosed
US-5599925-A BACTERICIDES OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-02-04 — — US disclosed
EP-0503597-A2 Penam derivatives and processes for producing the same OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1992-09-16 — — EP disclosed
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