SCHEMBL7498901

SCHEMBL7498901

CC(C)(C)OC(=O)c1cccc(CCOS(C)(=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.53
CYP4F2 P78329 3/20 0.46
CYP4A11 Q02928 3/20 0.46
LOXL2 Q9Y4K0 1/20 0.40
STAT3 P40763 1/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
NR3C1 P04150 1/20 0.36
PTPRB P23467 1/20 0.36
POLB P06746 1/20 0.36
CA7 P43166 1/20 0.36
TYR P14679 1/20 0.36
F2 P00734 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
TMPRSS6 Q8IU80 1/20 0.36

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
SCHEMBL14415230 0.92 SLC7A5 (0.51) SLC7A5CYP4F2CYP4A11LOXL2STAT3
SCHEMBL5467067 0.85 CYP4F2 (0.64) SLC7A5CYP4F2CYP4A11LOXL2CA12
SCHEMBL3126755 0.83 CA1 (0.48) SLC7A5CYP4F2CYP4A11STAT3CA12
SCHEMBL7646280 0.83 SLC7A5 (0.43) SLC7A5CYP4F2CYP4A11STAT3NR3C1
SCHEMBL15000874 0.83 CYP4F2 (0.52) SLC7A5CYP4F2CYP4A11LOXL2CA2
SCHEMBL14992864 0.83 CYP4F2 (0.63) CYP4F2CYP4A11CA12CA1CA14
SCHEMBL31487557 0.80 CYP4F2 (0.69) SLC7A5CYP4F2CYP4A11LOXL2STAT3
SCHEMBL5382573 0.80 SLC7A5 (0.60) SLC7A5CYP4F2CYP4A11LOXL2STAT3
SCHEMBL7505386 0.80 CYP4F2 (0.69) SLC7A5CYP4F2CYP4A11LOXL2STAT3
SCHEMBL7504785 0.79 SLC7A5 (0.63) SLC7A5CYP4F2CYP4A11LOXL2STAT3

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
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 EP disclosed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed