SCHEMBL9526406

SCHEMBL9526406

C=CCc1cc(C(C)=O)ccc1OCCC

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
L3MBTL1 Q9Y468 3/20 0.51
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.49
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
CREBBP Q92793 1/20 0.49
HIF1A Q16665 1/20 0.49
LMNA P02545 1/20 0.47
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
CNR2 P34972 2/20 0.47
CNR1 P21554 1/20 0.46
PTGDR Q13258 1/20 0.46
PTGDR2 Q9Y5Y4 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
SCHEMBL9525514 0.86 KDM4E (0.50) L3MBTL1MAPK1ALDH1A1HTTHIF1A
SCHEMBL8418865 0.83 MEN1 (0.50) L3MBTL1MAPK1ALDH1A1MAPTLMNA
SCHEMBL4981784 0.82 ALDH1A1 (0.61) L3MBTL1MAPK1ALDH1A1POLB
SCHEMBL9329169 0.81 KDM4E (0.69) SMN1; SMN2L3MBTL1MAPK1ALDH1A1MAPT
SCHEMBL5115761 0.81 SMN1; SMN2 (0.64) SMN1; SMN2L3MBTL1MAPK1ALDH1A1HTT
SCHEMBL9417984 0.80 CNR2 (0.53) SMN1; SMN2L3MBTL1MAPK1ALDH1A1MAPT
SCHEMBL9528336 0.80 MRGPRX4 (0.53) SMN1; SMN2L3MBTL1ALDH1A1HTTMAPT
SCHEMBL9417845 0.80 CNR2 (0.50) L3MBTL1MAPK1LMNACNR2CNR1
SCHEMBL9417815 0.79 PLA2G2D (0.51) L3MBTL1MAPK1ALDH1A1CNR2CNR1
SCHEMBL9417954 0.79 PLA2G2D (0.51) L3MBTL1MAPK1ALDH1A1CNR2CNR1

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