SCHEMBL10652503

SCHEMBL10652503

N[C@@H](COC(=O)c1ccccc1)C(=O)NO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A5 Q15758 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.57
▸ ADRB2 P07550 2/20 0.50
▸ ADRB1 P08588 2/20 0.50
▸ ADRB3 P13945 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PRKCA P17252 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL3450330 0.83 SLC1A5 (0.81) SLC1A5ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL3450327 0.83 SLC1A5 (0.81) SLC1A5ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL24354992 0.77 SLC1A5 (0.77) SLC1A5ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL17857748 0.76 ALDH1A1 (0.65) SLC1A5ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL27890102 0.76 ALDH1A1 (0.65) SLC1A5ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL12000806 0.75 ALDH1A1 (0.74) SLC1A5ALDH1A1ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL17837709 0.75 ALDH1A1 (0.62) SLC1A5ALDH1A1ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL17837705 0.75 ALDH1A1 (0.62) SLC1A5ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL28117942 0.75 ALDH1A1 (0.62) SLC1A5ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL20243012 0.74 SLC1A5 (1.00) SLC1A5ALDH1A1TDP1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0123442-B1 IMPROVEMENTS IN OR RELATING TO A PROCESS FOR PRODUCING BETA-LACTAM COMPOUNDS THE UNIVERSITY OF NOTRE DAME DU LAC (US) 1988-06-15 — — EP disclosed
US-4675399-A N-HYDROXY-2-AZETIDINONES; ACYLATION, SOLVOLYSIS NOTRE DAME UNIVERSITY (US) 1987-06-23 — — US disclosed
US-4565654-A BETA-LACTAMASE ENZYME INHIBITORS UNIVERSITY OF NOTRE DAME DU LAC (US) 1986-01-21 — — US disclosed
EP-0123442-A1 Improvements in or relating to a process for producing beta-lactam compounds THE UNIVERSITY OF NOTRE DAME DU LAC (US) 1984-10-31 — — EP disclosed
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