SCHEMBL9364012

SCHEMBL9364012

COCc1cc(CO)c(C(C)C)cc1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCE Q02156 3/20 0.36
MYLK Q15746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCA P17252 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 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
SCHEMBL9684250 0.90 PRKCE (0.38) PRKCEMYLKTDP1MAPTMEN1
SCHEMBL2649083 0.85 GABRA1 (0.44) GABRA1GABRG2GABRB3HSP90AA1HSP90AB1
SCHEMBL28769248 0.75 POLB (0.40) PRKCEMYLKTDP1MAPTMEN1
SCHEMBL9861626 0.74 HSP90AA1 (0.43) GABRA1GABRG2GABRB3HSP90AA1HSP90AB1
SCHEMBL26137552 0.73 PRKCE (0.36) PRKCEMYLKTDP1MAPTMEN1
SCHEMBL27505166 0.73 GABRA1 (0.35) GABRA1GABRG2GABRB3HSP90AA1HSP90AB1
SCHEMBL9363999 0.73 ERN1 (0.33) PRKCEMYLKTDP1MAPTMEN1
SCHEMBL22380325 0.71 GABRA1 (0.40) MAPTGABRA1GABRG2GABRB3HSP90AA1
SCHEMBL30631021 0.70 PRKCE (0.39) PRKCEMYLKTDP1MAPTMEN1
SCHEMBL12807838 0.70 CYP1A2 (0.31) PRKCEMYLKTDP1MAPTMEN1

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-0388732-B1 Pentasubstituted phenyls BAYER AG (DE) 1994-04-27 EP disclosed
US-5138090-A Administering to inhibit HMG-CoA reductase BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed
EP-0388732-A2 Pentasubstituted phenyls BAYER AG (DE) 1990-09-26 EP disclosed