SCHEMBL7428245

SCHEMBL7428245

CC(C)Cc1[c]cccc1COc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39
MAOB P27338 3/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPRC P08575 1/20 0.36
PTPN1 P18031 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
HTR1A P08908 1/20 0.35
MAOA P21397 1/20 0.35
PTGS1 P23219 1/20 0.35
CAPN1 P07384 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
POLB P06746 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
SCHEMBL310156 0.78 GABRA1 (0.47)
SCHEMBL7432943 0.76 L3MBTL1 (0.40) SLC6A2SLC6A4SLC6A3MAOASIGMAR1
SCHEMBL7426926 0.76 SIGMAR1 (0.38) KCNH2LMNASLC6A2SLC6A4SLC6A3
SCHEMBL7425837 0.76 KCNH2 (0.44) KCNH2MAOBKDM4ESMN1; SMN2PTPRC
SCHEMBL7430406 0.72 VCP (0.47) LMNAKDM4ESMN1; SMN2SLC6A2SLC6A4
SCHEMBL7428890 0.72 GABRA1 (0.37)
SCHEMBL920619 0.72 SLC6A2 (0.46) KCNH2MAOBKDM4ESMN1; SMN2PTPRC
SCHEMBL7428726 0.70 GABRA1 (0.35)
SCHEMBL931875 0.70 PTPRC (0.59) KCNH2MAOBLMNAKDM4ESMN1; SMN2
SCHEMBL8046767 0.69 ADORA3 (0.36) KCNH2

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-1212306-A2 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-06-12 EP disclosed
WO-2001019797-A2 HYDROXYALKANOYL AMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF Aβ PROTEIN PRODUCTION DU PONT PHARMACEUTICALS COMPANY (US) 2001-03-22 WO disclosed