SCHEMBL7909212

SCHEMBL7909212

OC[C@]1(O)O[C@H](CNCc2ccccc2)[C@@H](O)[C@H]1O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAN1B1 Q9UKM7 1/20 0.43
▸ NEU2 Q9Y3R4 1/20 0.39
▸ CXCR4 P61073 1/20 0.38
▸ HTR2C P28335 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HTR2A P28223 1/20 0.36

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
SCHEMBL7909208 1.00 MAN1B1 (0.43) MAN1B1NEU2CXCR4HTR2CMEN1
SCHEMBL7901237 1.00 MAN1B1 (0.43) MAN1B1NEU2CXCR4HTR2CMEN1
SCHEMBL7901249 1.00 MAN1B1 (0.43) MAN1B1NEU2CXCR4HTR2CMEN1
SCHEMBL7901252 1.00 MAN1B1 (0.43) MAN1B1NEU2CXCR4HTR2CMEN1
SCHEMBL7162008 1.00 MAN1B1 (0.43) MAN1B1NEU2CXCR4HTR2CMEN1
SCHEMBL7901240 1.00 MAN1B1 (0.43) MAN1B1NEU2CXCR4HTR2CMEN1
SCHEMBL7162006 1.00 MAN1B1 (0.43) MAN1B1NEU2CXCR4HTR2CMEN1
SCHEMBL7165918 0.86 MGAM (0.43) HTR2A
SCHEMBL7165915 0.86 MGAM (0.43) HTR2A
SCHEMBL7909241 0.84 MC5R (0.42) CXCR4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624652-B1 Process for producing N-substituted polyhydroxy nitrogen-containing heterocycles MONSANTO CO (US) 2001-10-10 — — EP disclosed
EP-1132370-A2 Process for producing n-substituted polyhydroxy nitrogen-containing heterocyles MONSANTO COMPANY (US) 2001-09-12 — — EP disclosed
US-5695969-A Process for producing N-substituted polyhydroxy nitrogen-containing heterocycles MONSANTO COMPANY (US) 1997-12-09 — — US disclosed
US-5401645-A Process for producing n-substituted polyhydroxy nitrogen-containing heterocycles utilizing acetobacteraceae and corynebacterium MONSANTO COMPANY (US) 1995-03-28 — — US disclosed
EP-0624652-A1 Process for producing N-substituted polyhydroxy nitrogen-containing heterocycles MONSANTO COMPANY (US) 1994-11-17 — — EP disclosed
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