SCHEMBL2469010

SCHEMBL2469010

CCn1nc(-c2nc(-c3ccc(CCC(=O)O)c(C4CC4)c3)no2)c2c1CC(C)(C)CC2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.38
S1PR3 Q99500 6/20 0.38
S1PR5 Q9H228 3/20 0.34
MITF O75030 1/20 0.33
TP53 P04637 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL2465273 0.91 S1PR1 (0.35) S1PR1S1PR3LMNA
SCHEMBL2464358 0.89 S1PR1 (0.47) S1PR1S1PR3S1PR5MITFTP53
SCHEMBL2456141 0.86 S1PR1 (0.47) S1PR1S1PR3S1PR5FFAR4
SCHEMBL2460745 0.82 S1PR1 (0.46) S1PR1S1PR3S1PR5
SCHEMBL3462797 0.81 S1PR1 (0.38) S1PR1S1PR3NR1H4
SCHEMBL2458635 0.81 S1PR1 (0.42) S1PR1S1PR3
SCHEMBL2459880 0.81 S1PR1 (0.51) S1PR1S1PR3S1PR5
SCHEMBL2467232 0.80 S1PR1 (0.40) S1PR1S1PR3S1PR5
SCHEMBL2474869 0.80 S1PR1 (0.38) S1PR1S1PR3NR1H4
SCHEMBL2456198 0.80 S1PR1 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2366702-A1 New oxadiazole derivatives Almirall, S.A. (ES) 2011-09-21 EP claimed
EP-2366702-A1 New oxadiazole derivatives Almirall, S.A. (ES) 2011-09-21 EP disclosed