SCHEMBL1374849

SCHEMBL1374849

CCCCc1c[c]ccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.38
HSD11B1 P28845 1/20 0.36
DPP4 P27487 1/20 0.35
PPARA Q07869 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
SOAT1 P35610 3/20 0.33
TLR8 Q9NR97 1/20 0.33
TSHR P16473 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
GCGR P47871 1/20 0.33
BID P55957 2/20 0.33
BCL2L1 Q07817 2/20 0.33
MCL1 Q07820 2/20 0.33
BAK1 Q16611 2/20 0.33
NR1H3 Q13133 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
SCHEMBL1840982 0.97 HSD11B1 (0.38) PSMB5HSD11B1DPP4PPARALIPG
SCHEMBL8838466 0.90 DPP4 (0.37) PSMB5DPP4PPARAADORA3ADORA1
SCHEMBL1370515 0.87 PSMB5 (0.38) PSMB5HSD11B1PPARALIPGSOAT1
SCHEMBL11045794 0.85 NR1H2 (0.39) PPARALIPGTLR8NR1H3
SCHEMBL10744231 0.83 DPP4 (0.35) DPP4
SCHEMBL1900101 0.83 PDCD1 (0.34) PSMB5HSD11B1PPARALIPGGCGR
SCHEMBL5685480 0.82 DPP4 (0.39) DPP4PPARA
SCHEMBL27582158 0.79 TDP1 (0.38) DPP4
SCHEMBL1897418 0.79 PSMB5 (0.44) PSMB5HSD11B1TLR8
SCHEMBL367335 0.78 DPP4 (0.52) PSMB5HSD11B1DPP4PPARALIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4745971-B2 2011-08-10 JP claimed
EP-1696907-A4 PDK-1/AKT SIGNALING INHIBITORS UNIV OHIO STATE RES FOUND (US) 2007-09-05 EP claimed
EP-1696907-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-09-06 EP claimed
WO-2005044130-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-05-19 WO claimed
WO-2005044130-A9 PDK-1/AKT SIGNALING INHIBITORS UNIV OHIO STATE RES FOUND (US) 2005-09-15 WO disclosed
EP-1133475-A1 SUBSTITUTED BENZO DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GmbH (DE) 2001-09-19 EP disclosed
WO-2000031039-A1 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GMBH (DE) 2000-06-02 WO disclosed