SCHEMBL4966514

SCHEMBL4966514

CC(C)(C)Cc1[nH]c(=O)ccc1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.34
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 6/20 0.33
GAA P10253 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 3/20 0.32
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALOX15 P16050 1/20 0.32
UCHL1 P09936 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ATM Q13315 1/20 0.32
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
RXRB P28702 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
SCHEMBL4647626 0.77 KDM5A (0.40) CYP1A2KDM4EKDM5AKDM5B
SCHEMBL20606945 0.76 MTNR1A (0.34) KDM4EALDH1A1GAASMN1; SMN2RXFP1
SCHEMBL15567932 0.75 ALDH1A1 (0.34) CYP1A2KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL6205311 0.74 HNF4A (0.45) KDM4EALDH1A1SMN1; SMN2ALOX15KDM5A
SCHEMBL23537975 0.73 HCAR2 (0.39) KDM4EALDH1A1GAASMN1; SMN2RXFP1
SCHEMBL4433471 0.72 KDM4E (0.45) BRS3CYP1A2KDM4EALDH1A1GAA
SCHEMBL4146790 0.70 KDM4E (0.47) CYP1A2KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL6473197 0.69 KDM4E (0.47) KDM4EALDH1A1RXFP1HSD17B10POLB
SCHEMBL16880866 0.68 KMT2A (0.53) CYP1A2KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL14694284 0.67 UPP1 (0.45) CYP1A2KDM4EALDH1A1GAASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954693-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-08-13 EP disclosed
WO-2007062007-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 WO disclosed