SCHEMBL6162530

SCHEMBL6162530

CC(C)(C)OC(=O)Nc1cc(O[Si](C)(C)C(C)(C)C)ccc1C=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.38
CA1 P00915 5/20 0.38
CA9 Q16790 5/20 0.38
BRAF P15056 1/20 0.38
MAP4K4 O95819 1/20 0.35
PREP P48147 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
LCK P06239 2/20 0.35
CYP17A1 P05093 2/20 0.34
ATR Q13535 1/20 0.34
ELANE P08246 2/20 0.34
PRTN3 P24158 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
CTRB1 P17538 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL7672891 0.86 CA12 (0.40) CA12CA1CA9PREPMAPT
SCHEMBL29956858 0.83 TRIM24 (0.49) BRAFKDM4EGAAMAPTHPGD
SCHEMBL27060303 0.80 KCNQ3 (0.43) BRAFGAAATRELANEPRTN3
SCHEMBL29407156 0.79 RAB9A (0.45) CA12CA1CA9LCK
SCHEMBL29950861 0.79 HPGD (0.46) CA12CA1CA9MAP4K4HPGD
SCHEMBL29951652 0.77 KCNQ4 (0.43) CA12CA1CA9BRAFMAP4K4
SCHEMBL29950591 0.77 HSP90AA1 (0.43) KDM4EGAAMAPTATR
SCHEMBL7714829 0.76 AAK1 (0.38) CA12CA1CA9CYP17A1BRD9
SCHEMBL7709234 0.76 TRPV1 (0.44) CA12CA1CA9KDM4EHPGD
SCHEMBL6771926 0.76 KMT2A (0.48) GAAMAPT

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
EP-1226119-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2005-03-16 EP disclosed
EP-1226119-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2003-04-09 EP disclosed
US-6479512-B1 TO TREAT TYROSINE KINASE-DEPENDENT DISEASES AND CONDITIONS, SUCH AS ANGIOGENESIS, CANCER, TUMOR GROWTH, ATHEROSCLEROSIS, AGE RELATED MACULAR DEGENERATION, DIABETIC RETINOPATHY, INFLAMMATORY DISEASES, ETC. MERCK & CO., INC. 2002-11-12 US disclosed
EP-1226119-A2 TYROSINE KINASE INHIBITORS MERCK & CO. INC. (US) 2002-07-31 EP disclosed
WO-2001028993-A2 TYROSINE KINASE INHIBITORS MERCK & CO. INC. (US) 2001-04-26 WO disclosed