SCHEMBL8019149

SCHEMBL8019149

CC(O)c1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 4/20 0.54
PGR P06401 1/20 0.53
KIF11 P52732 2/20 0.48
GRIA1 P42261 1/20 0.47
GRIA2 P42262 1/20 0.47
GRIA3 P42263 1/20 0.47
GRIA4 P48058 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
MMP2 P08253 4/20 0.43
CA12 O43570 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CYP2A6 P11509 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA14 Q9ULX7 1/20 0.43
HSD11B1 P28845 3/20 0.43
PTPN5 P54829 1/20 0.42
MMP13 P45452 3/20 0.42

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
SCHEMBL342986 0.94 PGR (0.49) MMP3PGRGRIA1GRIA2GRIA3
SCHEMBL4728041 0.94 PGR (0.49) MMP3PGRGRIA1GRIA2GRIA3
SCHEMBL320277 0.94 PGR (0.49) MMP3PGRGRIA1GRIA2GRIA3
SCHEMBL4562130 0.84 MMP3 (0.50) MMP3PGRKIF11GRIA1GRIA2
SCHEMBL12263202 0.83 MMP3 (0.52) MMP3KIF11GRIA1GRIA2GRIA3
SCHEMBL15981026 0.82 PARP15 (0.50) MMP3PGRALDH1A1HPGDMMP2
SCHEMBL29861308 0.82 PTPN5 (0.53) PGRKIF11ALDH1A1PTPN5
SCHEMBL7524578 0.82 PTPN5 (0.53) PGRKIF11ALDH1A1PTPN5
SCHEMBL3598109 0.79 MMP3 (0.42) MMP3PGRKIF11GRIA1GRIA2
SCHEMBL24912793 0.79 KIF11 (0.48) MMP3KIF11GRIA1GRIA2GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2149552-A None JP disclosed
US-7923078-B2 Light-modulating liquid-crystal element ADEKA CORPORATION (JP) 2011-04-12 US disclosed
US-20090279043-A1 LIGHT-MODULATING LIQUID-CRYSTAL ELEMENT ADEKA CORPORATION (JP) 2009-11-12 US disclosed
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed
JP-H02149552-A OPTICALLY ACTIVE BIPHENYLCARBINOL AND PREPARATION THEREOF SUMITOMO CHEM CO LTD 1990-06-08 JP disclosed