SCHEMBL6119293

SCHEMBL6119293

C=C(CCO)COCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
CA1 P00915 4/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
GRM5 P41594 4/20 0.42
TDP1 Q9NUW8 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
IDO1 P14902 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL29346470 0.86 TSHR (0.61) TSHRCA1CA2CA7CA9
SCHEMBL2219865 0.85 TSHR (0.54) TSHRCA1CA2CA7CA9
SCHEMBL6119415 0.84 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL10461732 0.83 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL6119397 0.79 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL29344326 0.79 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL6119762 0.79 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL9496959 0.78 CETP (0.47) TSHREPHX2
SCHEMBL10795241 0.78 CETP (0.47) TSHREPHX2
SCHEMBL7106989 0.78 TSHR (0.56) TSHRCA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012067663-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-05-24 WO disclosed