SCHEMBL25544666

SCHEMBL25544666

CC(C)Oc1ccc(C(O)O)cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.49
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
KCNH2 Q12809 1/20 0.39
S1PR5 Q9H228 1/20 0.39

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
SCHEMBL8799381 0.86 XDH (0.48) XDHS1PR1S1PR3
SCHEMBL16956179 0.83 XDH (0.46) XDHS1PR1S1PR3
SCHEMBL16957992 0.81 XDH (0.44) XDHS1PR1S1PR3
SCHEMBL16956332 0.80 XDH (0.44) XDHS1PR1S1PR3KCNH2S1PR5
SCHEMBL9034199 0.77 XDH (0.49) XDH
SCHEMBL21079169 0.77 XDH (0.49) XDHS1PR1
SCHEMBL13193178 0.77 XDH (0.49) XDHS1PR1S1PR3
SCHEMBL16956177 0.77 XDH (0.52) XDHS1PR1S1PR3
SCHEMBL2115285 0.76 XDH (0.48) XDHS1PR1
SCHEMBL22272207 0.76 XDH (0.48) XDH

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-3891133-B1 IMPROVED PROCESS FOR PREPARING OZANIMOD SYNTHON BV (NL) 2023-06-07 EP disclosed