SCHEMBL9524595

SCHEMBL9524595

COc1ccc(C(C)=O)cc1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.63
AURKB Q96GD4 3/20 0.63
INCENP Q9NQS7 3/20 0.63
L3MBTL1 Q9Y468 1/20 0.52
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CTSA P10619 1/20 0.51
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
HK2 P52789 1/20 0.49
MEN1 O00255 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
SCHEMBL402416 0.88 CA12 (0.62) SYKAURKBINCENPCTSAALDH1A1
SCHEMBL10296036 0.87 MKNK1 (0.54) SYKAURKBINCENPL3MBTL1AKR1C3
SCHEMBL35823 0.85 PTGS2 (0.58) SYKAURKBINCENPL3MBTL1MAPT
SCHEMBL3205541 0.85 LMNA (0.59) LMNA
SCHEMBL5991136 0.85 MKNK1 (0.56) SYKAURKBINCENPCTSAALDH1A1
SCHEMBL16712923 0.85 LMNA (0.51) SYKAURKBINCENPSMN1; SMN2CTSA
SCHEMBL2787158 0.84 SYK (0.51) SYKAURKBINCENPL3MBTL1MAPT
SCHEMBL12895860 0.83 KMT2A (0.51) SYKAURKBINCENPL3MBTL1MAPT
SCHEMBL14241376 0.83 SMN1; SMN2 (0.60) SYKAURKBINCENPL3MBTL1MAPT
SCHEMBL9473321 0.83 SYK (0.66) SYKAURKBINCENPMAPTALDH1A1

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