SCHEMBL723644

SCHEMBL723644

CCCCCCCCCCCCCCCCOC(C)OS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.41
CA2 P00918 9/20 0.41
CA9 Q16790 8/20 0.41
CA12 O43570 3/20 0.41
CA7 P43166 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA3 P07451 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
RECQL P46063 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
EPHX2 P34913 1/20 0.40
TP53 P04637 1/20 0.40
BLM P54132 1/20 0.40
DNM1 Q05193 1/20 0.40

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
SCHEMBL987798 1.00 CA1 (0.41) CA1CA2CA9CA12CA7
SCHEMBL987423 1.00 CA1 (0.41) CA1CA2CA9CA12CA7
SCHEMBL1276368 1.00 CA1 (0.41) CA1CA2CA9CA12CA7
SCHEMBL718849 0.98 CA1 (0.40) CA1CA2CA9CA12CA7
SCHEMBL9079331 0.92 TP53 (0.38) CA1CA2CA9CA12CA7
Ammonia Solution, Strong SCHEMBL7132558 0.91 TP53 (0.37) CA1CA2CA9CA12CA7
SCHEMBL1276367 0.85 CA1 (0.44) CA1CA2CA9CA12CA7
SCHEMBL719166 0.85 CA1 (0.44) CA1CA2CA9CA12CA7
SCHEMBL717340 0.85 CA1 (0.44) CA1CA2CA9CA12CA7
SCHEMBL721790 0.85 CA1 (0.44) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012027331-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING METABOLIC SYNDROME AND RELATED DISEASES AND DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-03-01 WO disclosed
EP-2224932-A1 CANCER TREATMENT USING COX-2 INHIBITOR AND ANTIMETABOLITE COMBINATIONS Tragara Pharmaceuticals, Inc. (US) 2010-09-08 EP disclosed
EP-2205077-A1 THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND ANTI-HER2(ERBB2) ANTIBODIES OR COMBINATIONS OF COX-2 INHIBITORS AND HER2(ERBB2) RECEPTOR TYROSINE KINASE INHIBITORS Tragara Pharmaceuticals, Inc. (US) 2010-07-14 EP disclosed
WO-2009158625-A2 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING GASTROINTESTINAL DISORDERS AND GERD-RELATED RESPIRATORY DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2009-12-30 WO disclosed
EP-2124884-A2 COMPOSITIONS COMPRISING BILE ACID SEQUESTRANTS FOR TREATING ESOPHAGEAL DISORDERS Ironwood Pharmaceuticals, Inc. (US) 2009-12-02 EP disclosed
WO-2009070547-A1 CANCER TREATMENT USING COX-2 INHIBITOR AND ANTIMETABOLITE COMBINATIONS TRAGARA PHARMACEUTICALS, INC. (US) 2009-06-04 WO disclosed
WO-2009042618-A1 THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND ANTI-HER2(ERBB2) ANTIBODIES OR COMBINATIONS OF COX-2 INHIBITORS AND HER2(ERBB2) RECEPTOR TYROSINE KINASE INHIBITORS TRAGARA PHARMACEUTICALS, INC. (US) 2009-04-02 WO disclosed
WO-2008080092-A2 COMPOSITIONS COMPRISING BILE ACID SEQUESTRANTS FOR TREATING ESOPHAGEAL DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed
EP-1696893-A1 CONTINUOUS COMBINATION THERAPY WITH SELECTIVE PROSTAGLANDIN EP4, RECEPTOR AGONISTS AND AN ESTROGEN FOR THE TREATMENT OF CONDITIONS THAT PRESENT WITH LOW BONE MASS. Pfizer Products Incorporated (US) 2006-09-06 EP disclosed
WO-2006070406-A1 BILAYER TABLETS OF OXCARBAZEPINE FOR CONTROLLED DELIVERY AND A PROCESS OF PREPARATION THEREOF J.B. CHEMICALS & PHARMACEUTICALS LTD (IN) 2006-07-06 WO disclosed
EP-1572163-A1 CONTROLLED-RELEASE OF AN ACTIVE SUBSTANCE INTO A HIGH FAT ENVIRONMENT Pfizer Products Inc. (US) 2005-09-14 EP disclosed
WO-2005060946-A1 CONTINUOUS COMBINATION THERAPY WITH SELECTIVE PROSTAGLANDIN EP4, RECEPTOR AGONISTS AND AN ESTROGEN FOR THE TREATMENT OF CONDITIONS THAT PRESENT WITH LOW BONE MASS PFIZER PRODUCTS INC. (US) 2005-07-07 WO disclosed
EP-1542697-A1 MODIFIED RELEASE FORMULATIONS OF OXCARBAZEPINE AND DERIVATIVES THEREOF Novartis AG (CH) 2005-06-22 EP disclosed
WO-2004098562-A2 CONTROLLED RELEASE SOLID DOSAGE NIFEDIPINE FORMULATIONS NOVEON IP HOLDINGS CORP. (US) 2004-11-18 WO disclosed
WO-2004052343-A1 CONTROLLED-RELEASE OF AN ACTIVE SUBSTANCE INTO A HIGH FAT ENVIRONMENT PFIZER PRODUCTS INC. (US) 2004-06-24 WO disclosed
WO-2004026314-A1 MODIFIED RELEASE FORMULATIONS OF OXCARBAZEPINE AND DERIVATIVES THEREOF NOVARTIS AG (CH) 2004-04-01 WO disclosed
EP-1313473-A2 SUSTAINED RELEASE FORMULATIONS FOR GROWTH HORMONE SECRETAGOGUES Pfizer Products Inc. (US) 2003-05-28 EP disclosed
WO-2002017918-A2 SUSTAINED RELEASE FORMULATIONS FOR GROWTH HORMONE SECRETAGOGUES PFIZER PRODUCTS INC. (GB) 2002-03-07 WO disclosed