SCHEMBL9524533

SCHEMBL9524533

COc1ccc(-c2ccc(C#N)c(=O)[nH]2)cc1OCC(C)C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
XDH P47989 10/20 0.52
SLC22A12 Q96S37 1/20 0.46

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
SCHEMBL9701620 0.87 KDM4E (0.57) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701530 0.87 KDM4E (0.65) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701927 0.85 KDM4E (0.55) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9526844 0.85 KDM4E (0.55) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9700696 0.83 KDM4E (0.53) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL11174883 0.81 KDM4E (0.53) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701460 0.79 ALDH1A1 (0.52) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701665 0.78 KDM4E (0.61) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL7645245 0.77 XDH (0.47) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701626 0.77 ALDH1A1 (0.56) KDM4EALDH1A1GLAGAAL3MBTL1

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-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed