SCHEMBL11086552

SCHEMBL11086552

NC(=O)c1ccc(OC[C]=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 18/20 0.61
▸ PARP15 Q460N3 7/20 0.55
▸ PARP4 Q9UKK3 2/20 0.55
▸ PARP14 Q460N5 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ PARP16 Q8N5Y8 1/20 0.55
▸ PARP11 Q9NR21 1/20 0.55
▸ PARP2 Q9UGN5 4/20 0.54
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ PARP1 P09874 1/20 0.52
▸ MAOB P27338 2/20 0.51
▸ AOC3 Q16853 1/20 0.49

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
SCHEMBL8438444 0.83 PRSS1 (0.63) —
SCHEMBL20273256 0.83 PARP10 (0.59) PARP10PARP15PARP4PARP14ALDH1A1
SCHEMBL27316975 0.83 PARP10 (0.59) PARP10PARP15PARP4PARP14ALDH1A1
SCHEMBL8011558 0.82 PKM (0.58) ALDH1A1CA1CA2
SCHEMBL17099938 0.81 PARP10 (0.58) PARP10PARP15PARP4PARP14ALDH1A1
SCHEMBL2170360 0.81 CA12 (0.42) ALDH1A1KMT2ACA1CA2MAOB
SCHEMBL9353433 0.81 L3MBTL1 (0.63) ALDH1A1MAOB
SCHEMBL8727410 0.78 MAPT (0.68) ALDH1A1KMT2ACA1CA2
SCHEMBL9171182 0.78 MAPT (0.46) PARP10ALDH1A1MAOB
SCHEMBL28067530 0.78 PARP10 (0.68) PARP10PARP15PARP4PARP14ALDH1A1

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
US-4458071-A Process for 1-oxa-β-lactams ELI LILLY AND COMPANY (US) 1984-07-03 — — US disclosed
EP-0109302-A1 Process for 1-oxa-beta-lactams ELI LILLY AND COMPANY (US) 1984-05-23 — — EP disclosed
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