SCHEMBL6900507

SCHEMBL6900507

C[C@H]1c2cc(Cl)cc(F)c2OC[C@H]1O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.32
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL6899607 0.83 NOTUM (0.32) NOTUM
SCHEMBL6899425 0.81 NOS3 (0.33) NOTUMNOS3NOS1NOS2
SCHEMBL13834431 0.81 NOS3 (0.33) NOTUMNOS3NOS1NOS2
SCHEMBL29991327 0.81 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL29991777 0.81 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL29991487 0.76
SCHEMBL7899513 0.73 NOS3 (0.36) NOTUMNOS3NOS1NOS2
SCHEMBL16519812 0.73 PGR (0.33)
SCHEMBL29991822 0.71 NOS3 (0.34) NOTUMNOS3NOS1NOS2
SCHEMBL16519791 0.71 HCRTR2 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509950-B1 5-Amino-4-hydroxypentoyl amides JANSSEN R & D IRELAND (IE) 2015-02-25 EP disclosed
WO-2011070131-A1 5-AMINO- 4-HYDROXYPENTOYL AMIDES TIBOTEC PHARMACEUTICALS (IE) 2011-06-16 WO disclosed