SCHEMBL3240338

SCHEMBL3240338

COc1ccc2c(c1)c(OC(C)=O)c(C)n2C(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.48
PTGS2 P35354 8/20 0.48
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
PTGES O14684 1/20 0.47
ABCC3 O15438 1/20 0.47
ABCC4 O15439 1/20 0.47
ABCB11 O95342 1/20 0.47
MT-CO2 P00403 1/20 0.47
LMNA P02545 1/20 0.47
ALB P02768 1/20 0.47
CYP1A2 P05177 1/20 0.47
ABCB1 P08183 1/20 0.47
ALOX5 P09917 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CXCL8 P10145 1/20 0.47
AR P10275 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL3252299 0.91 CNR2 (0.56) PTGS1PTGS2AKR1C3AKR1C2KDM4E
SCHEMBL1076364 0.85 PTGS2 (0.65) PTGS1PTGS2AKR1C3AKR1C2KDM4E
SCHEMBL11436509 0.84 PTGS2 (0.64) PTGS1PTGS2AKR1C3AKR1C2KDM4E
Water SCHEMBL11448358 0.83 PTGS2 (0.62) PTGS1PTGS2AKR1C3AKR1C2KDM4E
Water SCHEMBL11448360 0.83 PTGS2 (0.62) PTGS1PTGS2AKR1C3AKR1C2KDM4E
SCHEMBL5799148 0.83 PTGS2 (0.52) PTGS1PTGS2AKR1C3AKR1C2KDM4E
SCHEMBL5822002 0.83 CNR2 (0.58) PTGS1PTGS2AKR1C3AKR1C2KDM4E
SCHEMBL6024514 0.82 CNR1 (0.61) PTGS1PTGS2AKR1C3AKR1C2KDM4E
SCHEMBL8579955 0.81 LMNA (0.65) PTGS1PTGS2AKR1C3AKR1C2KDM4E
SCHEMBL29454968 0.79 AKR1C3 (0.75) PTGS1PTGS2AKR1C3AKR1C2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390026-B1 TREATMENT OF HPV CAUSED DISEASES CORNELL RES FOUNDATION INC (US) 2010-05-05 EP claimed
WO-2000029022-A1 COX-2 INHIBITORS IN COMBINATION WITH CENTRALLY ACTING ANALGESICS ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO claimed
US-7041694-B1 Cyclooxygenase-2 inhibition CORNELL RESEARCH FOUNDATION, INC. (US) 2006-05-09 US 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
US-20040204413-A1 Pharmaceutical compositions containing a COX-II inhibitor and a muscle relaxant OSMOTICA CORP. (VG) 2004-10-14 US disclosed
EP-1362585-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING A COX-II INHIBITOR AND A MUSCLE RELAXANT Osmotica Corp. (VG) 2003-11-19 EP disclosed
US-6486203-B1 Treating inflammatory diseases of the head and neck with cyclooxygenase-2 inhibitors CORNELL RESEARCH FOUNDATION, INC. 2002-11-26 US disclosed
US-6403630-B1 ADMINISTERING A CYCLOOXYGENASE-2 (COX-2) INHIBITOR ALONE OR IN COMBINATION WITH HERCEPTIN? ANTIBODY; USED TO TREAT BREAST CANCER CORNELL RESEARCH FOUNDATION, INC. 2002-06-11 US 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-2000029023-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO disclosed
US-5436265-A Analgesics or antipyretics MERCK FROSST CANADA, INC. (CA) 1995-07-25 US disclosed