SCHEMBL9851566

SCHEMBL9851566

COC(=O)c1ccc(OCCCC(C)=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.74
RAB9A P51151 3/20 0.66
L3MBTL1 Q9Y468 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
GAA P10253 2/20 0.54
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL2469151 0.88 MAPT (0.89) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL5054312 0.86 MAPT (0.85) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL4546171 0.86 MAPT (0.59) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL1951546 0.86 MAPT (1.00) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL12921583 0.85 MAPT (0.77) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL7937774 0.84 MAPT (0.82) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL522153 0.84 L3MBTL1 (0.61) MAPTL3MBTL1GAANPC1ALDH1A1
SCHEMBL20148862 0.84 L3MBTL1 (0.79) MAPTRAB9AL3MBTL1GAAKDM4E
SCHEMBL12921588 0.83 GAA (0.80) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL9851540 0.83 TSHR (0.65) L3MBTL1TDP1GAAALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0428268-A2 Pharmaceutical phenylpyridone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-05-22 EP disclosed