SCHEMBL12975475

SCHEMBL12975475

CCOc1ccc(-c2nc(-c3ccc(OCCCNC)cc3CC)no2)cc1C#N

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.51
S1PR3 Q99500 4/20 0.45
S1PR5 Q9H228 3/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL2135178 0.91 S1PR1 (0.55) S1PR1S1PR3S1PR5
SCHEMBL2720064 0.89 S1PR1 (0.54) S1PR1S1PR3S1PR5
SCHEMBL2134073 0.88 S1PR1 (0.54) S1PR1S1PR3S1PR5
SCHEMBL2138457 0.88 S1PR1 (0.55) S1PR1S1PR3S1PR5
SCHEMBL2143589 0.83 S1PR1 (0.54) S1PR1S1PR3S1PR5
SCHEMBL2136114 0.80 S1PR1 (0.56) S1PR1S1PR3S1PR5
SCHEMBL2133593 0.80 S1PR1 (0.56) S1PR1S1PR3S1PR5
SCHEMBL2134908 0.80 S1PR1 (0.56) S1PR1S1PR3S1PR5
SCHEMBL2134299 0.79 S1PR1 (0.55) S1PR1S1PR3S1PR5
SCHEMBL2133306 0.79 S1PR1 (0.53) S1PR1S1PR3S1PR5

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
WO-2010148650-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-29 WO disclosed