SCHEMBL9640394

SCHEMBL9640394

Cc1cc(C(=O)OC(C)(C)C)cc(-c2cc(C(=O)OC(C)(C)C)cc(CBr)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
SLC7A5 Q01650 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30

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
SCHEMBL9640448 0.93 SLC7A5 (0.35) ACACBACACASLC7A5CA12CA1
SCHEMBL9641687 0.88 ACACB (0.39) ACACBACACASLC7A5CA12CA1
SCHEMBL9641312 0.87 ACACB (0.42) ACACBACACASLC7A5CA12CA1
SCHEMBL8909201 0.85 KDM4E (0.42) CA12CA1CA2CA9CA14
SCHEMBL9640468 0.83 ACACB (0.36) ACACBACACASLC7A5CA12CA1
SCHEMBL8908305 0.80 TPMT (0.37)
SCHEMBL1425511 0.79 CA12 (0.40) ACACBACACASLC7A5CA12CA1
SCHEMBL1424997 0.79 EDNRB (0.36) ACACBACACASLC7A5CA12CA1
SCHEMBL9069963 0.76 KDM4E (0.49) CA12CA1CA2CA9CA14
SCHEMBL4881194 0.75 KDM4E (0.35) ACACBACACASLC7A5CA12CA1

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-0360820-B1 OLIGOBIPYRIDINE LIGANDS, PROCESS FOR OBTAINING THEM AND APPLICATION AS COMPLEXING AGENTS CIS BIO INTERNATIONAL (FR) 1992-08-19 EP disclosed
EP-0360820-A1 OLIGOBIPYRIDINE LIGANDS, PROCESS FOR OBTAINING THEM AND APPLICATION AS COMPLEXING AGENTS. ORIS SA (FR) 1990-04-04 EP disclosed
WO-1988008419-A1 OLIGOBIPYRIDINE LIGANDS, PROCESS FOR OBTAINING THEM AND APPLICATION AS COMPLEXING AGENTS COMPAGNIE ORIS INDUSTRIE S.A. (FR) 1988-11-03 WO disclosed