SCHEMBL9767771

SCHEMBL9767771

COc1cc(C(C)C)ccc1C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
MAPK1 P28482 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HSD17B10 Q99714 2/20 0.55
ALOX15 P16050 1/20 0.55
LMNA P02545 6/20 0.54
HPGD P15428 5/20 0.54
CYP3A4 P08684 2/20 0.54
RECQL P46063 1/20 0.54
NPC1 O15118 1/20 0.53
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 4/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2C19 P33261 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP2D6 P10635 2/20 0.50
PGR P06401 1/20 0.50
SLC6A2 P23975 1/20 0.50

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
SCHEMBL5992775 0.88 MAPT (0.55) MAPTMAPK1KDM4EHSD17B10ALOX15
SCHEMBL2493749 0.82 ALDH1A1 (0.59) MAPTKDM4EHSD17B10HPGDHTT
SCHEMBL9319733 0.81 HPGD (0.64) MAPTMAPK1KDM4EHSD17B10ALOX15
SCHEMBL28355059 0.80 BCL2 (0.58) MAPTMAPK1KDM4EHSD17B10LMNA
SCHEMBL7939201 0.80 MAPT (0.64) MAPTMAPK1KDM4EHSD17B10ALOX15
SCHEMBL257274 0.80 MAPT (0.62) MAPTMAPK1KDM4EHSD17B10ALOX15
SCHEMBL3224251 0.80 NPC1 (0.81) MAPTMAPK1KDM4EHSD17B10ALOX15
SCHEMBL30205105 0.80 NPC1 (0.81) MAPTMAPK1KDM4EHSD17B10ALOX15
SCHEMBL1259349 0.79 ALDH1A1 (0.46) MAPK1KDM4EHSD17B10LMNAHPGD
SCHEMBL3148110 0.79 MAPT (0.65) MAPTMAPK1KDM4EHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449465-B2 Triazolopyrimidine derivatives as glycogen synthase kinase 3 inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-11 US disclosed
US-7449465-B2 Triazolopyrimidine derivatives as glycogen synthase kinase 3 inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-11 US disclosed
US-5073611-A Containing photoreactive compound capable of abstracting hydrogen; coatings, hot melt adhesives BASF AKTIENGESELLSCHAFT (DE) 1991-12-17 US disclosed