SCHEMBL9525514

SCHEMBL9525514

C=CCOc1ccc(C(C)=O)cc1CC=C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
HTT P42858 2/20 0.49
ALDH1A1 P00352 3/20 0.48
HIF1A Q16665 1/20 0.48
PTGDR Q13258 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48
ELANE P08246 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PTPN1 P18031 2/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL9526406 0.86 SMN1; SMN2 (0.60) HTTALDH1A1HIF1APTGDRPTGDR2
SCHEMBL3544993 0.86 KDM4E (0.51) KDM4EALDH1A1PTGDRPTGDR2ELANE
SCHEMBL4981784 0.85 ALDH1A1 (0.61) ALDH1A1MEN1KMT2APTPN1GAA
SCHEMBL22229873 0.84 KDM4E (0.62) KDM4EHTTALDH1A1HIF1AMEN1
SCHEMBL9528336 0.82 MRGPRX4 (0.53) KDM4EHTTALDH1A1PTGDRPTGDR2
SCHEMBL29537569 0.81 KDM4E (0.74) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL8484361 0.81 KDM4E (0.66) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL9305217 0.81 KDM4E (0.74) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL8418865 0.80 MEN1 (0.50) KDM4EALDH1A1PTGDRPTGDR2ELANE
SCHEMBL20466300 0.80 ALDH1A1 (0.42) KDM4EHTTALDH1A1HIF1APTGDR

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