SCHEMBL11055439

SCHEMBL11055439

C=CC[C@@H]1NC(=O)[C@H]1C(C)(C)O

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL11055431 1.00 ALDH1A1 (0.39) ALDH1A1
SCHEMBL11055421 1.00 ALDH1A1 (0.39) ALDH1A1
SCHEMBL11094107 1.00 ALDH1A1 (0.39) ALDH1A1
SCHEMBL11094103 1.00 ALDH1A1 (0.39) ALDH1A1
SCHEMBL9782675 0.74
SCHEMBL9782740 0.74
SCHEMBL9186398 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11003397 0.73 ITGB3 (0.37)
SCHEMBL11054553 0.71
SCHEMBL11019759 0.69 ALDH1A1 (0.44) ALDH1A1

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-0008497-B1 BETA-LACTAM-CONTAINING COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1984-10-24 EP disclosed
US-4446146-A β-Lactam containing compounds, their preparation and use BEECHAM GROUP LIMITED (GB) 1984-05-01 US disclosed
EP-0038087-A2 Beta-lactam containing compounds, their preparation and use BEECHAM GROUP PLC (GB) 1981-10-21 EP disclosed
EP-0008497-A1 Beta-lactam-containing compounds, their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1980-03-05 EP disclosed