SCHEMBL10883602

SCHEMBL10883602

C=CCOC(=O)N[C@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 19/20 0.46
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL29908105 1.00 CASP1 (0.46) CASP1ALDH1A1
SCHEMBL3862102 0.84 ITGB3 (0.40) —
SCHEMBL3862108 0.84 ITGB3 (0.40) —
SCHEMBL6564177 0.83 TGM2 (0.34) —
SCHEMBL6564191 0.83 TGM2 (0.34) —
SCHEMBL753950 0.82 ITGA4 (0.41) —
Hydrochloric Acid SCHEMBL28591530 0.82 TGM2 (0.33) —
SCHEMBL29908060 0.81 ITGB3 (0.33) ALDH1A1
SCHEMBL28836215 0.81 ITGB3 (0.33) ALDH1A1
SCHEMBL1073717 0.81 ITGB2 (0.36) —

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-0109044-B1 PENEMS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, PROCESS FOR PREPARING THEM SCHERING CORPORATION (US) 1986-10-15 — — EP disclosed
US-4540580-A 2-[(1'R)-1'-Aminoalkyl]penems SCHERING CORPORATION (US) 1985-09-10 — — US disclosed
EP-0109044-A1 Penems, pharmaceutical compositions containing them, process for preparing them SCHERING CORPORATION (US) 1984-05-23 — — EP disclosed
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