SCHEMBL7696200

SCHEMBL7696200

CC(C)(C)c1cc(CCC(=O)On2nc3ccccc3n2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.40
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 2/20 0.37
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
IAPP P10997 2/20 0.35
ALOX5 P09917 2/20 0.34
OR51E2 Q9H255 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
MAOB P27338 1/20 0.34
NR1I2 O75469 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 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
SCHEMBL490455 0.77 GAA (0.49) APPHSP90AA1HSP90AB1GAAKMT2A
SCHEMBL9172620 0.77 KMT2A (0.49) APPGAAKMT2APOLBMAPT
SCHEMBL9857796 0.76 APP (0.55) APPMEN1KMT2APOLBMAPT
SCHEMBL490553 0.75 CYP4F2 (0.55) APPHSP90AA1HSP90AB1GAAKMT2A
SCHEMBL9487932 0.75 APP (0.52) APPHSP90AA1HSP90AB1GAAKMT2A
SCHEMBL7116001 0.74 APP (0.58) APPHSP90AA1HSP90AB1GAAIAPP
SCHEMBL29160643 0.74 NR1H4 (0.51) APPGAAKMT2APOLBMAPT
SCHEMBL30077234 0.74 APP (0.58) APPHSP90AA1HSP90AB1GAAIAPP
SCHEMBL2131066 0.74 APP (0.51) APPHSP90AA1HSP90AB1GAAKMT2A
SCHEMBL28861006 0.73 ALDH1A1 (0.42) HSP90AA1HSP90AB1GAAMAPTTHRA

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-2002079173-A1 BENZOTRIAZOLES AND THEIR USE AS UV LIGHT STABILISERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-10-10 WO claimed