SCHEMBL6965877

SCHEMBL6965877

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
HPGD P15428 5/20 0.43
PTPN1 P18031 4/20 0.43
POLB P06746 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MMP13 P45452 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
AKR1B1 P15121 2/20 0.42
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
NOD2 Q9HC29 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TTR P02766 1/20 0.39
BLM P54132 1/20 0.39
PLA2G1B P04054 1/20 0.39

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
SCHEMBL8522115 0.93 XDH (0.45) CNR1HPGDPTPN1POLBMAOA
SCHEMBL6967081 0.82 MEN1 (0.38) PTPN1MEN1KMT2A
SCHEMBL13256853 0.82 HPGD (0.57) HPGDPTPN1POLBMAOAMAOB
SCHEMBL7829571 0.82 HPGD (0.57) HPGDPTPN1POLBMAOAMAOB
SCHEMBL6978669 0.80 CNR1 (0.43) CNR1HPGDPTPN1POLBMAOA
SCHEMBL6978665 0.80 CNR1 (0.43) CNR1HPGDPTPN1POLBMAOA
SCHEMBL6966545 0.78 HPGD (0.52) HPGDPTPN1POLBMAOAMAOB
SCHEMBL6966548 0.78 HPGD (0.52) HPGDPTPN1POLBMAOAMAOB
SCHEMBL6967865 0.77 HPGD (0.51) HPGDPTPN1POLBMAOAMAOB
SCHEMBL6967873 0.77 HPGD (0.51) HPGDPTPN1POLBMAOAMAOB

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-B9 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2003-04-02 EP disclosed
EP-0894089-B1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2002-10-23 EP disclosed