SCHEMBL8522115

SCHEMBL8522115

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(C[N+]1(Oc3cccc(C=C4SC(=N)NC4=O)c3)CCCCC1)O2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.45
ADAMTS5 Q9UNA0 3/20 0.42
MMP13 P45452 1/20 0.42
CNR1 P21554 1/20 0.37
IDH1 O75874 1/20 0.36
PTPN1 P18031 3/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GSK3B P49841 1/20 0.35
CISD1 Q9NZ45 1/20 0.34
GPR119 Q8TDV5 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
SCHEMBL6965877 0.93 CNR1 (0.44) ADAMTS5MMP13CNR1PTPN1HPGD
SCHEMBL8580564 0.81 XDH (0.46) XDHADAMTS5MMP13CNR1IDH1
SCHEMBL6967081 0.79 MEN1 (0.38) PTPN1MEN1KMT2A
SCHEMBL7829571 0.74 HPGD (0.57) MMP13PTPN1HPGDPOLBMAOA
SCHEMBL13256853 0.74 HPGD (0.57) MMP13PTPN1HPGDPOLBMAOA
SCHEMBL6978665 0.74 CNR1 (0.43) XDHADAMTS5MMP13CNR1IDH1
SCHEMBL6978669 0.74 CNR1 (0.43) XDHADAMTS5MMP13CNR1IDH1
SCHEMBL15421425 0.72 ADAMTS5 (0.76) XDHADAMTS5MMP13CNR1IDH1
SCHEMBL15421423 0.72 ADAMTS5 (0.76) XDHADAMTS5MMP13CNR1IDH1
SCHEMBL6966545 0.71 HPGD (0.52) MMP13PTPN1HPGDPOLBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894089-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-02-03 EP disclosed
WO-1997041121-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1997-11-06 WO disclosed