SCHEMBL7875993

SCHEMBL7875993

CC(C)[C@H](C)Nc1cc(C(=O)O)cc(N(C)S(=O)(=O)C(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.43
BACE1 P56817 11/20 0.40
KDM4D Q6B0I6 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
SCHEMBL3478647 1.00 HCAR3 (0.43) HCAR3BACE1KDM4D
SCHEMBL3346038 0.78 TTR (0.35) BACE1
SCHEMBL7880801 0.76 BACE1 (0.64) BACE1
SCHEMBL2210348 0.76 BACE1 (0.64) BACE1
SCHEMBL3853328 0.75 HCAR3 (0.45) HCAR3BACE1
SCHEMBL3857905 0.75 HCAR3 (0.45) HCAR3BACE1
SCHEMBL3860002 0.74 HCAR3 (0.44) HCAR3BACE1
SCHEMBL3855704 0.74 HCAR3 (0.44) HCAR3BACE1
SCHEMBL3350177 0.73 KDM4C (0.44) KDM4D
SCHEMBL7946697 0.72 BACE1 (0.34) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010107384-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-09-23 WO disclosed