SCHEMBL9308925

SCHEMBL9308925

CCC[N]C(=O)NC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
KDM4C Q9H3R0 1/20 0.31
EPHX1 P07099 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL969171 0.81 ALDH1A1 (0.34) ALDH1A1EPHX1POLB
SCHEMBL2527720 0.73
SCHEMBL8761091 0.71 POLB (0.38) ALDH1A1EPHX1POLB
SCHEMBL107453 0.70 MMP1 (0.41) ALDH1A1KDM4CEPHX1POLB
SCHEMBL4271558 0.69 EPHX1 (0.39) ALDH1A1EPHX1POLB
SCHEMBL5792978 0.69
SCHEMBL965801 0.67
SCHEMBL21776065 0.67
SCHEMBL14899337 0.65
SCHEMBL1525799 0.64

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-5302711-A Ester cleavage process for use with β-lactams ELI LILLY AND COMPANY (US) 1994-04-12 US disclosed
EP-0557035-A2 An ester cleavage process for use with beta-lactams ELI LILLY AND COMPANY (US) 1993-08-25 EP disclosed