SCHEMBL6690224

SCHEMBL6690224

CC(C)CCn1c(=O)c(O)cc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.58
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
PDE5A O76074 3/20 0.41
PDE6D O43924 1/20 0.41
PDE6A P16499 1/20 0.41
PDE6G P18545 1/20 0.41
PDE6B P35913 1/20 0.41
PDE6C P51160 1/20 0.41
PDE6H Q13956 1/20 0.41

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
SCHEMBL11824046 0.80 DAO (0.62) DAOALDH1A1MEN1KMT2AKDM4E
SCHEMBL18575786 0.79 DAO (0.58) DAOALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL1378586 0.78 RXFP1 (0.46) ALDH1A1MAPTTP53
SCHEMBL4150766 0.76 MEN1 (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL9974826 0.76 TSHR (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL29941396 0.75 CA12 (0.53) ALDH1A1KMT2ASMN1; SMN2KDM4EHTT
SCHEMBL7128827 0.75 CA12 (0.53) ALDH1A1KMT2ASMN1; SMN2KDM4EHTT
SCHEMBL1238984 0.74 DAO (1.00) DAOALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7135259 0.73 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL6231890 0.71 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E

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-2004052312-A2 ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-06-24 WO disclosed