SCHEMBL16649263

SCHEMBL16649263

CC(C)(CCc1nc(-c2ccc(CN3CC(OC(=O)O)C3)cc2)no1)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.52
S1PR5 Q9H228 9/20 0.52
S1PR4 O95977 7/20 0.52
S1PR3 Q99500 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
POLB P06746 1/20 0.44
FFAR1 O14842 1/20 0.43
MITF O75030 1/20 0.43
RAB9A P51151 1/20 0.43

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 0.95 S1PR1 (0.52) S1PR1S1PR5S1PR4S1PR3L3MBTL1
SCHEMBL16649218 0.93 S1PR1 (0.52) S1PR1S1PR5S1PR4S1PR3TSHR
SCHEMBL16648931 0.93 S1PR1 (0.51) S1PR1S1PR5S1PR4S1PR3TSHR
SCHEMBL16649357 0.89 S1PR1 (0.51) S1PR1S1PR5S1PR4S1PR3L3MBTL1
SCHEMBL16649392 0.89 S1PR1 (0.46) S1PR1S1PR5S1PR4S1PR3TSHR
SCHEMBL460769 0.89 S1PR1 (0.67) S1PR1S1PR5S1PR4S1PR3
SCHEMBL16649341 0.87 S1PR1 (0.53) S1PR1S1PR5S1PR4S1PR3FFAR1
SCHEMBL461301 0.83 S1PR1 (0.65) S1PR1S1PR5S1PR4S1PR3
SCHEMBL460000 0.81 S1PR1 (0.67) S1PR1S1PR5S1PR4S1PR3
SCHEMBL460916 0.81 S1PR1 (0.66) S1PR1S1PR5S1PR4S1PR3

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