SCHEMBL5015064

SCHEMBL5015064

Cc1cc(CC(C)C)c(C)cc1CNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.46
KDM4A O75164 1/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
AAK1 Q2M2I8 4/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
VDR P11473 1/20 0.37
NQO2 P16083 1/20 0.36
GFER P55789 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SERPINE1 P05121 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1B Q00975 1/20 0.36

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
SCHEMBL5015113 0.91 KCNA5 (0.42) KCNA5KDM4AKDM4ELMNAAAK1
SCHEMBL5739222 0.81 ALDH1A1 (0.40) KCNA5KDM4AKDM4ELMNAAAK1
SCHEMBL14036623 0.81 KDM4A (0.44) KCNA5KDM4AKDM4ELMNAALDH1A1
SCHEMBL27723354 0.80 KCNA5 (0.39) KCNA5KDM4AKDM4ELMNAAAK1
SCHEMBL5460255 0.80 EPHX2 (0.42) KCNA5KDM4AKDM4ELMNAALDH1A1
SCHEMBL14036620 0.79 KCNA5 (0.45) KCNA5KDM4ATRPV1
SCHEMBL13761066 0.78 KDM4A (0.45) KCNA5KDM4AKDM4ELMNAALDH1A1
SCHEMBL5015072 0.78 NPC1 (0.54) KCNA5KDM4ALMNAALDH1A1MAPT
SCHEMBL27643741 0.77 KCNA5 (0.39) KCNA5KDM4AKDM4ELMNAAAK1
SCHEMBL15171404 0.77 NPC1 (0.52) KCNA5KDM4AKDM4EALDH1A1L3MBTL1

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-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed