SCHEMBL6285084

SCHEMBL6285084

O=C(O)[C@@H]1[C@H](O)[C@@H](O)[C@H](O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
MMP3 P08254 2/20 0.46
MMP9 P14780 2/20 0.46
ADAM17 P78536 2/20 0.46
MMP1 P03956 1/20 0.46
POLB P06746 1/20 0.45
HTR2C P28335 1/20 0.45
FUCA1 P04066 2/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL6343357 1.00 AGTR2 (0.52) AGTR2SMN1; SMN2NPC1RAB9APSEN1
SCHEMBL9175852 0.96 AGTR2 (0.53) AGTR2SMN1; SMN2NPC1RAB9APSEN1
SCHEMBL9175859 0.96 AGTR2 (0.53) AGTR2SMN1; SMN2NPC1RAB9APSEN1
SCHEMBL6683695 0.90 AGTR2 (0.55) AGTR2SMN1; SMN2NPC1RAB9APSEN1
SCHEMBL16520570 0.86 AGTR2 (0.47) AGTR2SMN1; SMN2NPC1RAB9APSEN1
SCHEMBL3431539 0.85 AGTR2 (0.51) AGTR2SMN1; SMN2NPC1RAB9APSEN1
SCHEMBL12480005 0.85 AGTR2 (0.51) AGTR2SMN1; SMN2NPC1RAB9APSEN1
SCHEMBL21359881 0.85 AGTR2 (0.51) AGTR2SMN1; SMN2NPC1RAB9APSEN1
SCHEMBL16256993 0.85 AGTR2 (0.51) AGTR2SMN1; SMN2NPC1RAB9APSEN1
SCHEMBL16256994 0.85 AGTR2 (0.51) AGTR2SMN1; SMN2NPC1RAB9APSEN1

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
US-6927294-B1 Nitrogen-containing heterocycles UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2005-08-09 US disclosed