SCHEMBL6869710

SCHEMBL6869710

CCCOc1ccc(CC=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
LTA4H P09960 1/20 0.48
CYP2C19 P33261 2/20 0.48
HTT P42858 2/20 0.47
HSD17B10 Q99714 1/20 0.47
PLK1 P53350 1/20 0.47
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 2/20 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
SCHEMBL12088667 0.92 SMN1; SMN2 (0.56) LMNASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL12088447 0.89 NR5A1 (0.55) LMNASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL1667493 0.87 NR5A1 (0.58) LMNASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL9270936 0.87 NR5A1 (0.58) LMNASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL6872219 0.87 NR5A1 (0.58) LMNASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL15018829 0.87 NR5A1 (0.58) LMNASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL27792511 0.84 LMNA (0.50) LMNAL3MBTL1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2559226 0.83 NQO1 (0.61) LMNAL3MBTL1SMN1; SMN2ALDH1A1MAPT
SCHEMBL909957 0.83 LMNA (0.58) LMNAL3MBTL1SMN1; SMN2ALDH1A1MAPT
SCHEMBL810802 0.83 ALDH1A1 (0.47) LMNAL3MBTL1SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101068797-A Carboxylic acid derivative containing thiazole ring and pharmaceutical use thereof MITSUBISHI PHARMA CORP (JP) 2007-11-07 CN disclosed
EP-1390337-A1 PRECURSORS FOR KETONES AND ALDEHYDES Givaudan SA (CH) 2004-02-25 EP disclosed
WO-2002096850-A1 PRECURSORS FOR KETONES AND ALDEHYDES GIVAUDAN SA (CH) 2002-12-05 WO disclosed