SCHEMBL7909279

SCHEMBL7909279

OCC1(O)O[C@H](CNCc2ccc3ccccc3c2)[C@H](O)[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC5R P33032 4/20 0.42
▸ MC4R P32245 3/20 0.42
▸ NPY5R Q15761 4/20 0.41
▸ MC3R P41968 2/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ MC1R Q01726 1/20 0.38
▸ NPY1R P25929 2/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ HDAC4 P56524 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL7909281 1.00 MC5R (0.42) MC5RMC4RNPY5RMC3RMAPK1
SCHEMBL7909241 1.00 MC5R (0.42) MC5RMC4RNPY5RMC3RMAPK1
SCHEMBL7911422 1.00 MC5R (0.42) MC5RMC4RNPY5RMC3RMAPK1
SCHEMBL7911420 1.00 MC5R (0.42) MC5RMC4RNPY5RMC3RMAPK1
SCHEMBL7909244 1.00 MC5R (0.42) MC5RMC4RNPY5RMC3RMAPK1
SCHEMBL7901237 0.84 MAN1B1 (0.43) MEN1KMT2ACXCR4
SCHEMBL7901252 0.84 MAN1B1 (0.43) MEN1KMT2ACXCR4
SCHEMBL7909208 0.84 MAN1B1 (0.43) MEN1KMT2ACXCR4
SCHEMBL7162008 0.84 MAN1B1 (0.43) MEN1KMT2ACXCR4
SCHEMBL7909212 0.84 MAN1B1 (0.43) MEN1KMT2ACXCR4

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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