Diclofenac

Diclofenac

SCHEMBL6262355

NCCCCC(N)C(=O)O.O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PTGS1PTGS2

The experimentally established mechanism targets of Diclofenac. 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 8/20 0.67
▸ PTGS1 known ✓ P23219 3/20 0.67
▸ CXCL8 P10145 4/20 0.67
▸ TTR P02766 3/20 0.67
▸ ABCB11 O95342 2/20 0.67
▸ NR1I3 Q14994 2/20 0.67
▸ AKR1B10 O60218 1/20 0.67
▸ UGT1A9 O60656 1/20 0.67
▸ TRPA1 O75762 1/20 0.67
▸ MT-CO2 P00403 1/20 0.67
▸ ALB P02768 1/20 0.67
▸ UGT1A6 P19224 1/20 0.67
▸ UGT1A1 P22309 1/20 0.67
▸ CXCR1 P25024 1/20 0.67
▸ ADRA1A P35348 1/20 0.67
▸ AGTR2 P50052 1/20 0.67
▸ SLC22A6 Q4U2R8 1/20 0.67
▸ NR1H4 Q96RI1 1/20 0.67
▸ UGT1A7 Q9HAW7 1/20 0.67
▸ UGT1A10 Q9HAW8 1/20 0.67

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
SCHEMBL11200912 0.84 CA12 (0.59) PTGS2CXCL8TTRPTGS1ABCB11
Diclofenac SCHEMBL10797064 0.83 PTGS2 (0.76) PTGS2CXCL8TTRPTGS1ABCB11
Diclofenac SCHEMBL15665994 0.82 PTGS2 (0.84) PTGS2CXCL8TTRPTGS1ABCB11
Diclofenac SCHEMBL2799 0.82 PTGS2 (1.00) PTGS2CXCL8TTRPTGS1ABCB11
Diclofenac SCHEMBL996716 0.82 PTGS2 (1.00) PTGS2CXCL8TTRPTGS1ABCB11
Diclofenac SCHEMBL29354260 0.82 PTGS2 (1.00) PTGS2CXCL8TTRPTGS1ABCB11
Diclofenac SCHEMBL10797667 0.82 PTGS2 (0.74) PTGS2CXCL8TTRPTGS1ABCB11
SCHEMBL11215604 0.82 PTGS2 (0.56) PTGS2CXCL8TTRPTGS1ABCB11
SCHEMBL11215996 0.82 PTGS2 (0.56) PTGS2CXCL8TTRPTGS1ABCB11
Diclofenac SCHEMBL27984058 0.81 PTGS2 (0.86) PTGS2CXCL8TTRPTGS1ABCB11

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
CN-101433544-B External-use pharmaceutical composition formulation with antiphlogistic, swelling-dispersing and analgesic functions, and use JIANGSU ZEUKOV PHARMACEUTICAL SCIENCE & TECHNOLOGY INC 2012-07-18 — — CN claimed
CN-101433544-A External-use pharmaceutical composition formulation with antiphlogistic, swelling-dispersing and analgesic functions, and use JIANGSU ZEUKOV PHARMACEUTICAL (CN) 2009-05-20 — — CN claimed
US-4593044-A Lysinate salt of naproxen, ketoprofen or diclofenac MERCKLE GMBH (DE) 1986-06-03 — — US claimed
WO-2015176848-A1 SELF-DRYING DOSAGE FORM WITH CONTROLLABLE DRYING TIME AND DRYING RATE BAUER K H (DE) 2015-11-26 — — WO disclosed
CN-101433544-B External-use pharmaceutical composition formulation with antiphlogistic, swelling-dispersing and analgesic functions, and use JIANGSU ZEUKOV PHARMACEUTICAL SCIENCE & TECHNOLOGY INC 2012-07-18 — — CN disclosed
CN-101186583-B Methyl 2-(2-(2,6-dichlorophenylamino)phenyl)acetate and its synthesizing method and application UNIV JILIN 2011-05-11 — — CN disclosed
CN-101433544-A External-use pharmaceutical composition formulation with antiphlogistic, swelling-dispersing and analgesic functions, and use JIANGSU ZEUKOV PHARMACEUTICAL (CN) 2009-05-20 — — CN disclosed
CN-101186583-A Methyl 2-(2-(2,6-dichlorophenylamino)phenyl)acetate and its synthesizing method and application UNIV JILIN (CN) 2008-05-28 — — CN disclosed
EP-1588697-A1 Emulsion gel for topical application of pharmaceuticals Bauer, Kurt H., Prof. Dr. (DE) 2005-10-26 — — EP disclosed
CN-1452979-A Medicine composition with anti-inflammatory effect and its production process GUANGXI BIOCHEMICAL TECHN INST (CN) 2003-11-05 — — CN disclosed
US-4593044-A Lysinate salt of naproxen, ketoprofen or diclofenac MERCKLE GMBH (DE) 1986-06-03 — — US disclosed
US-4593044-A Lysinate salt of naproxen, ketoprofen or diclofenac MERCKLE GMBH (DE) 1986-06-03 — — US disclosed
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