SCHEMBL8340854

SCHEMBL8340854

CSC(C)(C)[C@H](N)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PTGS1 P23219 1/20 0.36
DPP4 P27487 1/20 0.31

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
SCHEMBL14066341 0.80 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1
SCHEMBL7184921 0.80 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1
SCHEMBL7418366 0.80 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1
SCHEMBL7876560 0.80 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1
SCHEMBL6670760 0.75 DPP4 (0.32) ALDH1A1MAPTPTGS1DPP4
SCHEMBL17435745 0.75 SMN1; SMN2 (0.34) ALDH1A1MAPTPTGS1
SCHEMBL7346068 0.75 SMN1; SMN2 (0.34) ALDH1A1MAPTPTGS1
SCHEMBL17435743 0.75 SMN1; SMN2 (0.34) ALDH1A1MAPTPTGS1
SCHEMBL2032829 0.73
SCHEMBL738238 0.73

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-5948780-A ADMINISTERING A METALLOPROTEINASE INHIBITOR WARNER-LAMBERT COMPANY (US) 1999-09-07 US disclosed
US-5714491-A ANTICANCER AND ANTITUMOR AGENT CELLTECH THERAPEUTICS LIMITED (GB) 1998-02-03 US disclosed