SCHEMBL3240118

SCHEMBL3240118

COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.72
LMNA P02545 2/20 0.72
CYP1A2 P05177 2/20 0.72
CYP2D6 P10635 2/20 0.72
CYP2C9 P11712 2/20 0.72
NPSR1 Q6W5P4 2/20 0.72
TSHR P16473 1/20 0.72
NFKB1 P19838 1/20 0.72
AKR1C3 P42330 7/20 0.72
AKR1C2 P52895 7/20 0.72
PTGS2 P35354 3/20 0.72
AKR1C4 P17516 2/20 0.72
AKR1C1 Q04828 2/20 0.72
ABCB1 P08183 2/20 0.72
PTGS1 P23219 2/20 0.72
GLO1 Q04760 2/20 0.72
KDM4E B2RXH2 1/20 0.72
MEN1 O00255 1/20 0.72
PTGES O14684 1/20 0.72
ABCC3 O15438 1/20 0.72

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
SCHEMBL3240332 0.91 AKR1C3 (0.75) HIF1ALMNACYP1A2CYP2D6CYP2C9
SCHEMBL29454968 0.91 AKR1C3 (0.75) HIF1ALMNACYP1A2CYP2D6CYP2C9
SCHEMBL5801098 0.89 CNR1 (0.73) HIF1ALMNACYP1A2CYP2D6CYP2C9
SCHEMBL6753402 0.88 CNR1 (0.83) HIF1ALMNACYP1A2CYP2D6CYP2C9
SCHEMBL5797719 0.85 HIF1A (0.80) HIF1ALMNACYP1A2CYP2D6CYP2C9
SCHEMBL29386464 0.85 HIF1A (0.80) HIF1ALMNACYP1A2CYP2D6CYP2C9
Indomethacin SCHEMBL28072579 0.85 PTGS2 (0.98) HIF1ALMNACYP1A2CYP2D6CYP2C9
SCHEMBL1082631 0.84 HIF1A (1.00) HIF1ALMNACYP1A2CYP2D6CYP2C9
SCHEMBL2007480 0.84 AKR1C3 (0.80) HIF1ALMNACYP1A2CYP2D6CYP2C9
Indomethacin SCHEMBL3518614 0.83 PTGS2 (1.00) HIF1ALMNACYP1A2CYP2D6CYP2C9

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 9 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
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
US-5436265-A Analgesics or antipyretics MERCK FROSST CANADA, INC. (CA) 1995-07-25 US disclosed