SCHEMBL11032485

SCHEMBL11032485

COC(C)c1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.46
MMP3 P08254 5/20 0.45
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
GRIA4 P48058 1/20 0.45
CYP11B2 P19099 2/20 0.42
CYP11B1 P15538 1/20 0.42
CYP19A1 P11511 3/20 0.42
MMP2 P08253 5/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP2A6 P11509 1/20 0.40
HPGD P15428 1/20 0.40
XDH P47989 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL30187789 0.94 CYP19A1 (0.46) KIF11GRIA1GRIA2GRIA3GRIA4
SCHEMBL10338986 0.80 GRIA1 (0.46) KIF11MMP3GRIA1GRIA2GRIA3
SCHEMBL12263202 0.79 MMP3 (0.52) KIF11MMP3GRIA1GRIA2GRIA3
SCHEMBL10339045 0.78 TSHR (0.47) KIF11MMP3GRIA1GRIA2GRIA3
SCHEMBL24912793 0.76 KIF11 (0.48) KIF11MMP3GRIA1GRIA2GRIA3
SCHEMBL29225795 0.76 KIF11 (0.48) KIF11MMP3GRIA1GRIA2GRIA3
SCHEMBL8019149 0.76 MMP3 (0.54) KIF11MMP3GRIA1GRIA2GRIA3
SCHEMBL29225796 0.76 KIF11 (0.48) KIF11MMP3GRIA1GRIA2GRIA3
SCHEMBL1338710 0.76 AKR1C2 (0.42) CYP11B2CYP11B1AKR1C2AKR1C1ALDH1A1
SCHEMBL7385564 0.75 CYP2A6 (0.46) KIF11MMP3CYP11B2CYP11B1CYP19A1

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
JP-59053459-A None JP disclosed
JP-S5953459-A 4'-(ALKOXYALKYL)-4-CYANOBIPHENYL ASAHI GLASS CO LTD 1984-03-28 JP disclosed