SCHEMBL8766644

SCHEMBL8766644

CSc1ccc(C(=O)CN2CCC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
SMN1; SMN2 Q16637 6/20 0.40
ALDH1A1 P00352 4/20 0.40
TNF P01375 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 4/20 0.40
PLK1 P53350 1/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
FLI1 Q01543 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
SCHEMBL7447238 0.89 TNF (0.48) HAO1MMP2MMP9MMP8SMN1; SMN2
SCHEMBL8766483 0.78 GSR (0.47) MMP2MMP9MMP8SMN1; SMN2RAB9A
SCHEMBL8766778 0.77 RAB9A (0.41) SMN1; SMN2ALDH1A1TSHRRAB9AMAPT
SCHEMBL8766562 0.74 L3MBTL1 (0.50) SMN1; SMN2ALDH1A1TNFMAPK1RAB9A
SCHEMBL24634980 0.74 PKM (0.56) SMN1; SMN2ALDH1A1TSHRMAPK1RAB9A
SCHEMBL5739984 0.71 RAB9A (0.69) SMN1; SMN2ALDH1A1TSHRMAPK1RAB9A
SCHEMBL5738542 0.71 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1TSHRRAB9AMAPT
SCHEMBL5739537 0.71 RAB9A (0.69) SMN1; SMN2ALDH1A1TSHRMAPK1RAB9A
SCHEMBL10418997 0.70 HTT (0.63) SMN1; SMN2ALDH1A1TSHRRAB9AMAPT
SCHEMBL29236547 0.70 GSK3B (0.66) MMP2MMP9SMN1; SMN2ALDH1A1RAB9A

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-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP claimed
EP-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP disclosed