SCHEMBL17354599

SCHEMBL17354599

CCC(C)(C)C1CCc2c(cc(-c3ccccc3)n2-c2nc(COC=O)cs2)C1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.35
MAPT P10636 6/20 0.35
THRB P10828 1/20 0.35
LMNA P02545 2/20 0.34

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
SCHEMBL17354606 0.91 UCHL1 (0.32) TP53MAPTTHRBLMNA
SCHEMBL12094442 0.89 TP53 (0.36) TP53MAPTTHRBLMNA
SCHEMBL12092304 0.86 TP53 (0.40) TP53MAPTTHRBLMNA
SCHEMBL4153027 0.75 MAPT (0.50) TP53MAPTTHRBLMNA
SCHEMBL17354603 0.72 MAPT (0.52) TP53MAPTTHRBLMNA
SCHEMBL2996787 0.69 MAPT (0.52) TP53MAPTTHRBLMNA
SCHEMBL2981865 0.69 MAPT (0.42) TP53MAPTTHRBLMNA
SCHEMBL17685231 0.68 MAPT (0.41) TP53MAPTTHRBLMNA
SCHEMBL2987929 0.68 PIM1 (0.33) TP53MAPTTHRB
SCHEMBL2992714 0.67 MAPT (0.47) TP53MAPTTHRBLMNA

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
US-9216966-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-12-22 US disclosed