SCHEMBL9763260

SCHEMBL9763260

O=C(O)[C@@H]1[C@@H](Cc2ccccc2)[C@@H](O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 5/20 0.50
PSEN1 P49768 2/20 0.50
PSEN2 P49810 2/20 0.50
APH1B Q8WW43 2/20 0.50
NCSTN Q92542 2/20 0.50
APH1A Q96BI3 2/20 0.50
PSENEN Q9NZ42 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HTR2C P28335 1/20 0.43
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41

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
SCHEMBL9175859 0.88 AGTR2 (0.53) AGTR2PSEN1PSEN2APH1BNCSTN
SCHEMBL9175852 0.88 AGTR2 (0.53) AGTR2PSEN1PSEN2APH1BNCSTN
SCHEMBL6683695 0.88 AGTR2 (0.55) AGTR2PSEN1PSEN2APH1BNCSTN
SCHEMBL14569818 0.84 AGTR2 (0.46) AGTR2PSEN1PSEN2APH1BNCSTN
SCHEMBL14546519 0.84 AGTR2 (0.46) AGTR2PSEN1PSEN2APH1BNCSTN
SCHEMBL10137620 0.84 AGTR2 (0.46) AGTR2PSEN1PSEN2APH1BNCSTN
SCHEMBL8280446 0.84 AGTR2 (0.46) AGTR2PSEN1PSEN2APH1BNCSTN
SCHEMBL6285084 0.84 AGTR2 (0.52) AGTR2PSEN1PSEN2APH1BNCSTN
SCHEMBL6343357 0.84 AGTR2 (0.52) AGTR2PSEN1PSEN2APH1BNCSTN
SCHEMBL16256994 0.83 AGTR2 (0.51) AGTR2PSEN1PSEN2APH1BNCSTN

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-5013842-A Synthesis of chiral pyrrolidine and piperidine glycosidase inhibitors MONSANTO COMPANY (US) 1991-05-07 US disclosed