SCHEMBL6024850

SCHEMBL6024850

CC(=O)Oc1c(C)n(C(=O)C#Cc2ccccc2)c2ccc(O)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 4/20 0.41
PKM P14618 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 4/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 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
SCHEMBL6024845 0.80 PTGS1 (0.60) HPGDLMNAMAPTPKMKDM4E
SCHEMBL5553721 0.74 AKR1C3 (0.44) HTTHPGDLMNASMN1; SMN2MAPT
SCHEMBL5558582 0.74 PTGS2 (0.47) HTTHPGDLMNASMN1; SMN2PTGS1
SCHEMBL6025282 0.73 PTGS1 (0.47) HTTHPGDLMNASMN1; SMN2MAPT
SCHEMBL8673753 0.73 HTR6 (0.43) HTTHPGDLMNASMN1; SMN2MAPT
SCHEMBL27790010 0.73 GAA (0.47) HTTHPGDLMNASMN1; SMN2MAPT
SCHEMBL5799040 0.72 PTGS2 (0.46) HTTHPGDLMNASMN1; SMN2MAPT
SCHEMBL6025591 0.72 PTGS2 (0.48) HTTHPGDLMNASMN1; SMN2MAPT
SCHEMBL27905740 0.71 CNR2 (0.41) HTTHPGDLMNASMN1; SMN2MAPT
SCHEMBL6025108 0.70 CNR2 (0.47) HTTHPGDLMNASMN1; SMN2MAPT

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-1628532-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION Microbia, Inc. (US) 2006-03-01 EP disclosed
WO-2004108085-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION MICROBIA, INC. (US) 2004-12-16 WO disclosed