SCHEMBL9547986

SCHEMBL9547986

O=C1N[C@H](COCc2ccccc2)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.64
ACHE P22303 2/20 0.64
PDPK1 O15530 2/20 0.40
MTOR P42345 1/20 0.40
LMNA P02545 1/20 0.39
TACR2 P21452 1/20 0.37
MAN2B1 O00754 1/20 0.36
TSHR P16473 1/20 0.36
HTR1A P08908 1/20 0.35
NT5E P21589 1/20 0.35
GJB2 P29033 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL21064349 0.80 BCHE (0.44) BCHEACHEPDPK1MTOR
SCHEMBL18463270 0.80 BCHE (0.45) BCHEACHEPDPK1MTORTSHR
SCHEMBL24376571 0.78 BCHE (1.00) BCHEACHEPDPK1MTORLMNA
SCHEMBL18961290 0.78 BCHE (1.00) BCHEACHEPDPK1MTORLMNA
SCHEMBL8969562 0.74 BCHE (0.80) BCHEACHEPDPK1MTORLMNA
SCHEMBL20662286 0.74 BCHE (0.51) BCHEACHEPDPK1MTORTACR2
Ammonia Solution, Strong SCHEMBL8992146 0.73 BCHE (0.78) BCHEACHELMNAGJB2
SCHEMBL18797793 0.71 BCHE (0.48) BCHEACHEPDPK1MTORLMNA
SCHEMBL24465178 0.71 BCHE (0.48) BCHEACHEPDPK1MTORLMNA
SCHEMBL18661883 0.71 BCHE (0.48) BCHEACHEPDPK1MTORLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5200523-A Synthesis of nojirimycin derivatives MONSANTO COMPANY (US) 1993-04-06 US claimed
US-5248779-A Synthesis of nojirimycin derivatives MONSANTO COMPANY (US) 1993-09-28 US disclosed
US-5200523-A Synthesis of nojirimycin derivatives MONSANTO COMPANY (US) 1993-04-06 US disclosed
EP-0423099-A1 Synthesis of nojirimycin derivatives Monsanto Company (US) 1991-04-17 EP disclosed