SCHEMBL8599119

SCHEMBL8599119

O[C@@H]1[C@H](O)CN[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAN1B1 Q9UKM7 10/20 0.51
MAN2A1 Q16706 8/20 0.51
GBA1 P04062 7/20 0.45
MAN2B1 O00754 1/20 0.44
GLB1 P16278 2/20 0.43
GBA2 Q9HCG7 1/20 0.43

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
SCHEMBL21578193 0.70 MAN1B1 (0.64) MAN1B1MAN2A1GBA1MAN2B1GLB1
SCHEMBL21578194 0.70 MAN1B1 (0.64) MAN1B1MAN2A1GBA1MAN2B1GLB1
SCHEMBL20470481 0.70 MAN1B1 (0.64) MAN1B1MAN2A1GBA1MAN2B1GLB1
SCHEMBL21578196 0.70 MAN1B1 (0.64) MAN1B1MAN2A1GBA1MAN2B1GLB1
SCHEMBL5930460 0.70 TYMP (0.40)
SCHEMBL9025529 0.70 TYMP (0.40)
SCHEMBL31138990 0.70 TYMP (0.42)
SCHEMBL10515519 0.69 KIF11 (0.43)
SCHEMBL5443832 0.69 TYMP (0.52)
SCHEMBL10408396 0.69 TYMP (0.52)

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-5773239-A ENZYME INHIBITORS FORMED BY MULTISTAGE REACTION FOR USE AS PRODRUGS MOUNT SINAI HOSPITAL CORPORATION. (CA) 1998-06-30 US disclosed