SCHEMBL16124337

SCHEMBL16124337

CCc1ccc(C2C(=O)Oc3c(CC(C)C)cc(C(C)(C)C)cc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL16124341 0.91 ATM (0.36) ATMALDH1A1L3MBTL1
SCHEMBL14106810 0.84 ATM (0.36) ATMALDH1A1L3MBTL1
SCHEMBL12750377 0.83 ATM (0.33) ATMALDH1A1
SCHEMBL1232097 0.82 GABBR2 (0.37) NPSR1ALDH1A1
SCHEMBL12750379 0.75 ATM (0.32) ATMALDH1A1
SCHEMBL16124338 0.74 GAA (0.43)
SCHEMBL13809781 0.74 GABBR2 (0.38) ALDH1A1
SCHEMBL28640783 0.73 GAA (0.43) NPSR1ALDH1A1
SCHEMBL14643454 0.73 GABBR2 (0.37) ALDH1A1
SCHEMBL26459766 0.71 GABBR2 (0.38) ALDH1A1

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-20140288641-A1 OXIDATION RESISTANT BIOPROSTHETIC TISSUES AND PREPARATION THEREOF THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2014-09-25 US disclosed