SCHEMBL16124338

SCHEMBL16124338

CC(C)Cc1cc(CC(C)C)c2c(c1)C(c1ccccc1)C(=O)O2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
LIPE Q05469 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
SCHEMBL27963432 0.85 GAA (0.32) GAAGABRA1GABRB2
SCHEMBL16124337 0.74 NPSR1 (0.36)
SCHEMBL16124341 0.74 ATM (0.36)
SCHEMBL14106810 0.69 ATM (0.36)
SCHEMBL12352206 0.68 GAA (0.61) GAAMEN1CYP3A4MAPTKMT2A
SCHEMBL2612447 0.66 GAA (0.48) GAAMEN1CYP3A4MAPTKMT2A
SCHEMBL11210296 0.66 GAA (0.51) GAAMEN1CYP3A4MAPTKMT2A
SCHEMBL10479363 0.66 GAA (0.39) GAAMEN1CYP3A4MAPTKMT2A
SCHEMBL6075102 0.65 GAA (0.39) GAAMEN1CYP3A4MAPTKMT2A
SCHEMBL2612461 0.65 GAA (0.66) GAAMEN1CYP3A4MAPTKMT2A

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