SCHEMBL6768684

SCHEMBL6768684

CC(C)(C)[Si](C)(C)Oc1ccc(O[Si](C)(C)C(C)(C)C)c(CBr)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA9 Q16790 4/20 0.44
PREP P48147 4/20 0.39
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.35
IDO1 P14902 2/20 0.33
GAA P10253 1/20 0.31
ADRA1A P35348 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 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
SCHEMBL16535794 0.90 IDO1 (0.45) CA12CA1CA9PREPDRD2
SCHEMBL6881796 0.84 CA12 (0.42) CA12CA1CA9PREPDRD2
SCHEMBL4978286 0.83 CA12 (0.44) CA12CA1CA9PREPDRD2
SCHEMBL2292629 0.83 CA12 (0.44) CA12CA1CA9PREPHSP90AA1
SCHEMBL4979875 0.82 CA12 (0.43) CA12CA1CA9PREPHTR2A
SCHEMBL2880034 0.82 MEN1 (0.36) DRD2HTR2A
SCHEMBL18805728 0.82 ATM (0.40) CA1CA9DRD2
SCHEMBL1178457 0.82 DRD2 (0.38) DRD2HTR2A
SCHEMBL4754171 0.82 CA12 (0.43) CA12CA1CA9PREPHTR2A
SCHEMBL6764135 0.81 CA12 (0.43) CA12CA1CA9PREPDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6726911-B1 SOLVENT EXTRACT; MICROBIOCIDES; ENDOPEPTIDASE, ANGIOTENSIN CONVERTING ENZYME AND SERUM-MEDIATED-BINDING OF LIPOPOLYSACCHARIDE INHIBITORS GANOMYCIN (DE) 2004-04-27 US disclosed
EP-1158995-B1 BIOLOGICALLY ACTIVE COMPOUNDS OF GANODERMA PFEIFFERI DMS 13239 GANOMYCIN GES FUER BIOMEDIZINI (DE) 2003-06-18 EP disclosed
EP-1158995-A1 BIOLOGICALLY ACTIVE COMPOUNDS OF GANODERMA PFEIFFERI DMS 13239 Ganomycin Gesellschaft für Biomedizinische Forschung mbH (DE) 2001-12-05 EP disclosed
WO-2000053207-A1 BIOLOGICALLY ACTIVE COMPOUNDS OF $I(GANODERMA PFEIFFERI) DMS 13239 GANOMYCIN GESELLSCHAFT FÜR BIOMEDIZINISCHE FORSCHUNG MBH ; (DE) 2000-09-14 WO disclosed