SCHEMBL5329307

SCHEMBL5329307

O=C(O)CCCc1cn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.72
PLA2G4A P47712 1/20 0.62
PADI4 Q9UM07 1/20 0.59
HTR6 P50406 1/20 0.59
LMNA P02545 2/20 0.58
ALDH1A1 P00352 1/20 0.58
ADRA1D P25100 2/20 0.56
ADRA1A P35348 1/20 0.55
HDAC6 Q9UBN7 2/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
MCL1 Q07820 2/20 0.54
CHRNB2 P17787 1/20 0.53
CHRNA7 P36544 1/20 0.53
CHRNA4 P43681 1/20 0.53
CYP19A1 P11511 1/20 0.53
PLA2G2A P14555 1/20 0.53

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
SCHEMBL2006750 0.92 PLA2G4A (0.68) POLBPLA2G4APADI4HTR6LMNA
SCHEMBL20248189 0.91 HTR6 (0.62) POLBPLA2G4AHTR6HDAC6HDAC10
SCHEMBL20250911 0.91 RXFP1 (0.62) POLBPLA2G4ALMNAALDH1A1HDAC6
SCHEMBL9152081 0.88 POLB (0.57) POLBPLA2G4APADI4HTR6LMNA
SCHEMBL1859925 0.86 POLB (0.64) POLBPADI4HTR6HDAC6HDAC10
SCHEMBL20248160 0.84 TP53 (0.63) POLBALDH1A1ADRA1DADRA1AMCL1
SCHEMBL9152262 0.84 KMT2A (0.59) POLBPLA2G4APADI4LMNAALDH1A1
SCHEMBL9209850 0.84 POLB (1.00) POLBPADI4HTR6LMNAALDH1A1
SCHEMBL4595500 0.83 POLB (0.64) POLBPLA2G4APADI4HTR6LMNA
SCHEMBL2051630 0.82 ALDH1A1 (0.80) POLBHTR6LMNAALDH1A1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1146905-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN Algos Pharmaceutical Corporation (US) 2001-10-24 EP claimed
WO-2000029022-A1 COX-2 INHIBITORS IN COMBINATION WITH CENTRALLY ACTING ANALGESICS ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO claimed
WO-2000029023-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO claimed
CN-101443030-A Use of gelsolin for diagnosis and treatment of inflammatory diseases BRIGHAM & WOMENS HOSPITAL (US) 2009-05-27 CN disclosed
WO-2007129169-A2 COX- II INHIBITORS FOR IMPROVING REPRODUCTIVE SUCCESS IN A FEMALE ANIMAL PFIZER LIMITED (GB) 2007-11-15 WO disclosed
WO-2005046650-A1 PHARMACEUTICAL FORMULATION CONTAINING MUSCLE RELAXANT AND COX-II INHIBITOR GLENMARK PHARMACEUTICALS LIMITED (US) 2005-05-26 WO disclosed
WO-2005044227-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS GLENMARK PHARMACEUTICALS LIMITED (US) 2005-05-19 WO disclosed
US-20050100594-A1 Pharmaceutical formulation containing muscle relaxant and COX-II inhibitor GLENMARK PHARMACEUTICALS LIMITED (IN) 2005-05-12 US disclosed
US-20050096371-A1 Topical pharmaceutical compositions GLENMARK PHARMACEUTICALS LIMITED (IN) 2005-05-05 US disclosed
EP-1150952-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-10-27 EP disclosed
EP-1146905-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN Algos Pharmaceutical Corporation (US) 2001-10-24 EP disclosed
WO-2000029022-A1 COX-2 INHIBITORS IN COMBINATION WITH CENTRALLY ACTING ANALGESICS ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO disclosed
WO-2000029023-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO disclosed