SCHEMBL2930307

SCHEMBL2930307

CC(C)Oc1ccc(-c2nc(-c3ccc(Cn4ccc(OC(=O)O)n4)cc3)no2)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.59
MINK1 Q8N4C8 2/20 0.59
S1PR1 P21453 18/20 0.55
S1PR3 Q99500 5/20 0.55
S1PR5 Q9H228 1/20 0.55
PRKCD Q05655 1/20 0.48

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
SCHEMBL2927103 0.88 S1PR1 (0.56) S1PR1S1PR3S1PR5
SCHEMBL2937523 0.88 S1PR1 (0.55) MAP4K4MINK1S1PR1S1PR3S1PR5
SCHEMBL2930303 0.88 MAP4K4 (0.61) MAP4K4MINK1S1PR1S1PR3S1PR5
SCHEMBL2935613 0.86 S1PR1 (0.44) MAP4K4MINK1S1PR1S1PR3S1PR5
SCHEMBL2932124 0.84 MAP4K4 (0.57) MAP4K4MINK1S1PR1S1PR3S1PR5
SCHEMBL2934505 0.83 MAP4K4 (0.55) MAP4K4MINK1S1PR1S1PR3S1PR5
SCHEMBL2933666 0.80 S1PR1 (0.64) S1PR1S1PR5
SCHEMBL2934990 0.80 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL2937791 0.78 S1PR1 (0.45) S1PR1S1PR3S1PR5
SCHEMBL2936360 0.78 MAP4K4 (0.63) MAP4K4MINK1S1PR1S1PR3S1PR5

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-2091950-B1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2010-09-22 EP claimed