SCHEMBL3976683

SCHEMBL3976683

CCc1cccc(C)c1OCCCOC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 8/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.40
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
PTPN1 P18031 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL28042959 0.85 ALDH1A1 (0.53) SCN8ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL24629478 0.84 KDM4E (0.42) SCN8AALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL13490677 0.81 HPGD (0.46) SMN1; SMN2ALDH1A1MAPTHPGDATM
SCHEMBL16954557 0.80 MAPT (0.44) SCN8AALDH1A1MAPTL3MBTL1PTGER1
SCHEMBL19456539 0.78 KDM4E (0.47) SCN8ASMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL13344106 0.77 GABRA1 (0.43) SCN8ASMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL31114428 0.77 SMN1; SMN2 (0.44) SCN8ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL8166933 0.75 GABRA1 (0.44) SCN8ASMN1; SMN2ALDH1A1LMNA
SCHEMBL13384804 0.73 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1MAPTHPGDPTGER1
SCHEMBL13490745 0.73 L3MBTL1 (0.70) SMN1; SMN2MAPTHPGDATML3MBTL1

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-2009053277-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-04-30 WO disclosed