SCHEMBL9762994

SCHEMBL9762994

CC(C(=O)OC(C)(C)C)c1csc(CCN)c1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.40
CA2 P00918 1/20 0.31
SERPINE1 P05121 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
SCHEMBL9792793 0.74 APP (0.46) APP
Hydrochloric Acid SCHEMBL9792889 0.73 APP (0.45) APP
SCHEMBL9762814 0.69 ESR1 (0.42) APP
SCHEMBL550740 0.68 APP (0.48) APP
SCHEMBL13975441 0.66 KDM4A (0.40) CA2SERPINE1
SCHEMBL27280939 0.65 APP (0.36) APP
SCHEMBL2289610 0.65 APP (0.47) APP
SCHEMBL16782694 0.65 APP (0.47) APP
SCHEMBL7687112 0.64 APP (0.44) APP
SCHEMBL10399805 0.64 PTGS2 (0.58) APP

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-5034381-A Antagonist CIBA-GEIGY CORPORATION (US) 1991-07-23 US disclosed