SCHEMBL6058804

SCHEMBL6058804

CC(C)(C)[Si](C)(C)Oc1ccc(-c2c(Br)cc(C(=O)O)cc2I)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.46
MCL1 Q07820 1/20 0.36
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA9 Q16790 4/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
TPMT P51580 3/20 0.35
NR4A2 P43354 1/20 0.35
TTR P02766 1/20 0.34
AURKA O14965 1/20 0.33
TPX2 Q9ULW0 1/20 0.33

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
SCHEMBL6705270 0.88 PREP (0.44) PREPCA12CA1CA9
Biphenyl SCHEMBL7167410 0.85 PREP (0.40) PREPCA12CA1CA9
SCHEMBL6058993 0.79 PREP (0.41) PREPCA12CA1CA9THRA
SCHEMBL6058502 0.77 PREP (0.45) PREPTPMT
SCHEMBL6542930 0.76 CA1 (0.52) PREPCA12CA1CA9NR4A2
SCHEMBL6155680 0.73 PLA2G2A (0.41) PREPCA12CA1CA9TPMT
SCHEMBL3296656 0.73 CA12 (0.41) PREPCA12CA1CA9TPMT
SCHEMBL6654531 0.70 TPMT (0.48) PREPCA12CA1CA9TPMT
SCHEMBL29053391 0.70 CA12 (0.46) PREPCA12CA1CA9
SCHEMBL23491348 0.69 PREP (0.57) PREPCA12CA1CA9

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
EP-0877607-B1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS AVENTIS PHARMA SA (FR) 2006-11-15 EP disclosed