Ketorolac

Ketorolac

SCHEMBL977126

NC(CO)(CO)CO.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PTGS1PTGS2

The experimentally established mechanism targets of Ketorolac. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 known ✓ P35354 4/20 1.00
PTGS1 known ✓ P23219 2/20 0.79
LMNA P02545 3/20 1.00
ABCC4 O15439 1/20 1.00
HTT P42858 1/20 1.00
BLM P54132 1/20 1.00
CYP1A2 P05177 1/20 1.00
NFKB1 P19838 1/20 1.00
MAPK1 P28482 1/20 1.00
CDC42 P60953 3/20 0.79
RAC1 P63000 3/20 0.79
PAK1 Q13153 2/20 0.79
NPC1 O15118 2/20 0.79
RAB9A P51151 2/20 0.79
CHRM3 P20309 1/20 0.79
OPRM1 P35372 1/20 0.79
CA4 P22748 5/20 0.53
CA9 Q16790 4/20 0.53
CA12 O43570 3/20 0.53
CA1 P00915 3/20 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
Ketorolac SCHEMBL5036 1.00 PTGS2 (1.00) PTGS2LMNAABCC4HTTBLM
Ketorolac SCHEMBL6378057 1.00 PTGS2 (1.00) PTGS2LMNAABCC4HTTBLM
Ketorolac SCHEMBL7889476 0.99 PTGS2 (0.98) PTGS2LMNAABCC4HTTBLM
Ketorolac SCHEMBL14892 0.89 PTGS2 (1.00) PTGS2LMNAABCC4HTTBLM
Ketorolac SCHEMBL4103 0.89 PTGS2 (1.00) PTGS2LMNAABCC4HTTBLM
Ketorolac SCHEMBL23466702 0.89 PTGS2 (1.00) PTGS2LMNAABCC4HTTBLM
Ketorolac SCHEMBL14891 0.89 PTGS2 (1.00) PTGS2LMNAABCC4HTTBLM
Ketorolac SCHEMBL6423894 0.87 PTGS2 (0.76) PTGS2LMNAABCC4HTTBLM
Ketorolac SCHEMBL15661224 0.87 PTGS2 (0.97) PTGS2LMNAABCC4HTTBLM
Ketorolac SCHEMBL20553125 0.87 PTGS2 (0.97) PTGS2LMNAABCC4HTTBLM

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
US-20200333637-A1 SMART AUTOMATED CONTACT LENS CLEANSING DEVICE GREESON AUSTIN (US) 2020-10-22 US disclosed
US-20160206521-A1 Gel-Based Compositions and Methods of Use RODRIGUEZ ARCADIO MALDONADO (MX) 2016-07-21 US disclosed
WO-2016100961-A1 GEL-BASED COMPOSITIONS AND METHODS OF USE RODRIGUEZ ARCADIO MALDONADO (US) 2016-06-23 WO disclosed
US-9295692-B1 Gel-based compositions and methods of use RODRIGUEZ ARCADIO MALDONADO (MX) 2016-03-29 US disclosed
EP-2844223-A1 PHARMACEUTICAL NANOPARTICLES SHOWING IMPROVED MUCOSAL TRANSPORT Kala Pharmaceuticals, Inc. (US) 2015-03-11 EP disclosed
WO-2013166436-A1 PHARMACEUTICAL NANOPARTICLES SHOWING IMPROVED MUCOSAL TRANSPORT KALA PHARMACEUTICALS, INC. (US) 2013-11-07 WO disclosed
US-20110021595-A1 KETOROLAC TROMETHAMINE COMPOSITIONS FOR TREATING OR PREVENTING OCULAR PAIN ALLERGAN, INC. (US) 2011-01-27 US disclosed
EP-2054052-A1 DRUG COMBINATION PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USING THEM Vicus Therapeutics SPE 1, LLC (US) 2009-05-06 EP disclosed
WO-2008014471-A1 DRUG COMBINATION PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USING THEM VICUS THERAPEUTICS SPE 1, LLC (US) 2008-01-31 WO disclosed
EP-1549742-A1 METHOD FOR SELECTION OF COMPOUNDS WHICH INHIBIT CLONAL CELL GROWTH AND USE THEREOF Tjötta, Enok (NO) 2005-07-06 EP disclosed
WO-2004055175-A1 METHOD FOR SELECTION OF COMPOUNDS WHICH INHIBIT CLONAL CELL GROWTH AND USE THEREOF TJOETTA ENOK (NO) 2004-07-01 WO disclosed
EP-0799029-A1 TRANSDERMAL DELIVERY SYSTEM WITH ADHESIVE OVERLAY AND PEEL SEAL DISC THERATECH, INC. (US) 1997-10-08 EP disclosed
US-5662925-A FOR ADMINISTERING AN ACTIVE AGENT TO THE SKIN OR MUCOSA OF AN INDIVIDUAL THERATECH, INC. (US) 1997-09-02 US disclosed
EP-0707465-A4 MONOLITHIC MATRIX TRANSDERMAL DELIVERY SYSTEM CYGNUS THERAPEUTIC SYSTEMS (US) 1997-04-16 EP disclosed
WO-1996019205-A1 TRANSDERMAL DELIVERY SYSTEM WITH ADHESIVE OVERLAY AND PEEL SEAL DISC THERATECH, INC. (US) 1996-06-27 WO disclosed
EP-0707465-A1 MONOLITHIC MATRIX TRANSDERMAL DELIVERY SYSTEM CYGNUS, INC. (US) 1996-04-24 EP disclosed
WO-1995033492-A9 METHODS AND COMPOSITIONS FOR MODULATION OF WOUND HEALING 1996-02-29 WO disclosed
WO-1995033492-A1 METHODS AND COMPOSITIONS FOR MODULATION OF WOUND HEALING HOUSTON BIOTECHNOLOGY INCORPORATED (US) 1995-12-14 WO disclosed