SCHEMBL16649341

SCHEMBL16649341

CC(C)(CCCc1nc(-c2ccc(CN3CC(OC(=O)O)C3)cc2)no1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.53
S1PR5 Q9H228 9/20 0.50
S1PR4 O95977 7/20 0.50
S1PR3 Q99500 4/20 0.50
HDAC8 Q9BY41 2/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
FFAR1 O14842 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
SCHEMBL16649478 0.93 S1PR1 (0.52) S1PR1S1PR5S1PR4S1PR3HDAC8
SCHEMBL459390 0.89 S1PR1 (0.65) S1PR1S1PR5S1PR4S1PR3
SCHEMBL16649263 0.87 S1PR1 (0.52) S1PR1S1PR5S1PR4S1PR3FFAR1
SCHEMBL16649218 0.87 S1PR1 (0.52) S1PR1S1PR5S1PR4S1PR3FFAR1
SCHEMBL16648931 0.87 S1PR1 (0.51) S1PR1S1PR5S1PR4S1PR3
SCHEMBL16649392 0.85 S1PR1 (0.46) S1PR1S1PR5S1PR4S1PR3
SCHEMBL16649245 0.82 S1PR1 (0.74) S1PR1S1PR5S1PR4S1PR3HDAC8
SCHEMBL461301 0.81 S1PR1 (0.65) S1PR1S1PR5S1PR4S1PR3
SCHEMBL16649312 0.80 S1PR1 (0.81) S1PR1S1PR3
SCHEMBL16649357 0.80 S1PR1 (0.51) S1PR1S1PR5S1PR4S1PR3HDAC8

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
EP-2595969-B1 Substituted 3-phenyl-1,2,4-oxadiazole compounds BRISTOL MYERS SQUIBB CO (US) 2015-04-22 EP claimed