SCHEMBL7299454

SCHEMBL7299454

O=[C]COc1ccc(NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.68
MAPT P10636 2/20 0.68
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
POLB P06746 1/20 0.58
LTA4H P09960 2/20 0.53
KDM1A O60341 2/20 0.53
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
MGLL Q99685 1/20 0.52
PTPN1 P18031 1/20 0.52
PTPN6 P29350 1/20 0.52
PTPN11 Q06124 1/20 0.52
ROCK2 O75116 1/20 0.52
RCOR1 Q9UKL0 1/20 0.52
ALDH1A1 P00352 4/20 0.51
TSHR P16473 2/20 0.50
ATM Q13315 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
SCHEMBL1224023 0.83 TP53 (0.71) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7296951 0.83 MAPT (0.80) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9005244 0.83 POLB (0.64) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL28246624 0.81 NPC1 (0.68) TP53MAPTNPC1RAB9ASMN1; SMN2
Benzyl Phenylcarbamate SCHEMBL1222943 0.81 POLB (0.78) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10447512 0.81 L3MBTL1 (0.59) MAPTNPC1RAB9ASMN1; SMN2PTPN1
SCHEMBL1223807 0.80 RAB9A (0.67) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6983615 0.80 PPARA (0.60) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1870929 0.79 POLB (0.71) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7294828 0.79 MAPT (0.73) TP53MAPTNPC1RAB9ASMN1; SMN2

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-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP claimed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed