SCHEMBL9525503

SCHEMBL9525503

CCCCCOc1cc(OC)ccc1C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
CYSLTR2 Q9NS75 2/20 0.52
CYSLTR1 Q9Y271 2/20 0.52
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 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
SCHEMBL2454085 0.88 PPARG (0.56) THRATHRBHDAC3HDAC1HDAC2
SCHEMBL10269078 0.87 LMNA (0.59) LMNAMAPTL3MBTL1THRATHRB
SCHEMBL4304885 0.87 HDAC3 (0.54) MAPTL3MBTL1THRATHRBALDH1A1
SCHEMBL13926713 0.86 THRA (0.61) LMNASMN1; SMN2MAPTL3MBTL1THRA
SCHEMBL4304889 0.84 PPARG (0.55) SMN1; SMN2THRATHRBPOLBHDAC3
SCHEMBL7497130 0.84 KDM4E (0.61) LMNAMAPTL3MBTL1POLBALDH1A1
SCHEMBL7566083 0.84 MAPT (0.52) LMNASMN1; SMN2MAPTL3MBTL1POLB
SCHEMBL30991357 0.84 LMNA (0.52) LMNASMN1; SMN2MAPTL3MBTL1POLB
SCHEMBL4556782 0.84 CYSLTR2 (0.51) LMNASMN1; SMN2MAPTL3MBTL1THRA
SCHEMBL28382637 0.83 MAPT (0.54) LMNASMN1; SMN2MAPTL3MBTL1POLB

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