SCHEMBL7344923

SCHEMBL7344923

O=C(NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.46
WDR77 Q9BQA1 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
HSD17B10 Q99714 1/20 0.44
TAAR1 Q96RJ0 2/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
SLC1A3 P43003 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
F9 P00740 1/20 0.39
F10 P00742 1/20 0.39
PLAU P00749 1/20 0.39
FAAH O00519 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL23766641 0.80 PRMT5 (0.59) PRMT5WDR77RAB9ANPC1HSD17B10
Mannitol SCHEMBL28834478 0.80 PDE4A (0.44) HSD17B10ALDH1A1MAPT
Mannitol SCHEMBL27910852 0.80 KDM4E (0.44) RAB9ANPC1HSD17B10TAAR1GAA
SCHEMBL7765629 0.79 LMNA (0.56) RAB9ANPC1SLC1A3SMN1; SMN2PLAU
SCHEMBL28897234 0.79 RAB9A (0.50) PRMT5WDR77RAB9ANPC1HSD17B10
SCHEMBL23766625 0.78 NPC1 (0.56) PRMT5WDR77RAB9ANPC1HSD17B10
SCHEMBL7349098 0.77 SLC1A3 (0.43) PRMT5WDR77RAB9ANPC1HSD17B10
SCHEMBL6726577 0.76 PDE4A (0.48) HSD17B10ALDH1A1MAPT
SCHEMBL1225548 0.76 NPC1 (0.58) PRMT5WDR77RAB9ANPC1HSD17B10
SCHEMBL7689672 0.76 NPC1 (0.58) PRMT5WDR77RAB9ANPC1HSD17B10

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
EP-0397779-A1 RENIN INHIBITING PEPTIDES WITH POLAR END GROUPS THE UPJOHN COMPANY (US) 1990-11-22 EP disclosed
EP-0329295-A1 Renin inhibiting peptides with polar end groups THE UPJOHN COMPANY (US) 1989-08-23 EP disclosed
WO-1989007109-A1 RENIN INHIBITING PEPTIDES WITH POLAR END GROUPS THE UPJOHN COMPANY (US) 1989-08-10 WO disclosed