SCHEMBL18952992

SCHEMBL18952992

CC(C)Oc1cc(Oc2ccc(N3C(=O)NC(=O)C3(C)C)cn2)ccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.39
XDH P47989 2/20 0.36
PTGDR Q13258 1/20 0.35
AR P10275 2/20 0.34
GCK P35557 1/20 0.33

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
SCHEMBL1979015 0.89 AR (0.45) MMP13XDHPTGDRAR
SCHEMBL15536746 0.86 MMP13 (0.41) MMP13AR
SCHEMBL15535817 0.86 MMP13 (0.41) MMP13AR
SCHEMBL18952942 0.84 GPR119 (0.40) MMP13XDH
SCHEMBL18952955 0.84 MMP13 (0.42) MMP13AR
SCHEMBL18952979 0.83 MMP13 (0.41) MMP13AR
SCHEMBL18952954 0.82 MMP13 (0.42) MMP13AR
SCHEMBL13832579 0.81 AR (0.36) MMP13XDHPTGDRARGCK
SCHEMBL1979251 0.80 AR (0.35) MMP13XDHPTGDRAR
SCHEMBL18952980 0.79 PTGDR (0.34) XDHPTGDRARGCK

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-3386506-A1 MODULATORS OF KV3 CHANNELS TO TREAT PAIN Autifony Therapeutics Limited (GB) 2018-10-17 EP disclosed
WO-2017098254-A1 MODULATORS OF KV3 CHANNELS TO TREAT PAIN AUTIFONY THERAPEUTICS LIMITED (GB) 2017-06-15 WO disclosed