SCHEMBL3814993

SCHEMBL3814993

OCCC(O)c1c[c]ccc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.35
TRPA1 O75762 1/20 0.34
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3819879 0.91 RIPK1 (0.34) RIPK1TRPA1LMNAKDM4EL3MBTL1
SCHEMBL2263002 0.84 LMNA (0.34) TRPA1LMNAKDM4EL3MBTL1
SCHEMBL1403700 0.83 LMNA (0.39) RIPK1LMNAKDM4EL3MBTL1
SCHEMBL27785062 0.83 HRH1 (0.41) RIPK1LMNA
SCHEMBL1403779 0.80 ALDH1A1 (0.38) RIPK1LMNAKDM4E
SCHEMBL1569932 0.79 TRPA1 (0.33) TRPA1
SCHEMBL27306885 0.78 LMNA (0.57) RIPK1TRPA1LMNAKDM4EL3MBTL1
SCHEMBL10706532 0.78 LMNA (0.33) LMNAKDM4EL3MBTL1
Water SCHEMBL27676524 0.77 RIPK1 (0.55) RIPK1TRPA1LMNAKDM4EL3MBTL1
SCHEMBL17510071 0.77 TRPA1 (0.35) TRPA1LMNA

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-2089373-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-19 EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 WO disclosed