Ketoprofen

Ketoprofen

SCHEMBL3264420

CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1.NC(CO)(CO)CO.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O.c1ccc2c(c1)CCN2

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PTGS1PTGS2

The experimentally established mechanism targets of Ketoprofen. 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 7/20 0.60
PTGS1 known ✓ P23219 5/20 0.47
LMNA P02545 2/20 0.60
MAPK1 P28482 2/20 0.60
ABCC4 O15439 1/20 0.60
HTT P42858 1/20 0.60
BLM P54132 1/20 0.60
CYP1A2 P05177 1/20 0.60
NFKB1 P19838 1/20 0.60
CDC42 P60953 3/20 0.47
RAC1 P63000 3/20 0.47
PAK1 Q13153 2/20 0.47
NPC1 O15118 1/20 0.47
CHRM3 P20309 1/20 0.47
OPRM1 P35372 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 2/20 0.40
CXCR1 P25024 2/20 0.40
CXCR2 P25025 2/20 0.40
SMN1; SMN2 Q16637 2/20 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
Ketoprofen SCHEMBL7991457 0.83 PTGS2 (0.69) PTGS2LMNAMAPK1ABCC4HTT
Ketorolac SCHEMBL258489 0.78 PTGS2 (0.66) PTGS2LMNAMAPK1ABCC4HTT
Ketorolac SCHEMBL6378057 0.78 PTGS2 (1.00) PTGS2LMNAMAPK1ABCC4HTT
Ketorolac SCHEMBL977126 0.78 PTGS2 (1.00) PTGS2LMNAMAPK1ABCC4HTT
Ketoprofen SCHEMBL5816775 0.78 PTGS2 (0.67) PTGS2LMNAMAPK1HTTCYP1A2
Ketorolac SCHEMBL5036 0.78 PTGS2 (1.00) PTGS2LMNAMAPK1ABCC4HTT
Ketorolac SCHEMBL7889476 0.77 PTGS2 (0.98) PTGS2LMNAMAPK1ABCC4HTT
Ketoprofen SCHEMBL8759161 0.73 PTGS1 (0.76) PTGS2LMNAMAPK1HTTCYP1A2
Ketoprofen SCHEMBL31529697 0.73 PTGS1 (0.76) PTGS2LMNAMAPK1HTTCYP1A2
Dexketoprofen SCHEMBL1065399 0.73 PTGS1 (0.76) PTGS2LMNAMAPK1HTTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010006046-A1 NSAID DELIVERY FROM POLYARYLATES TYRX PHARMA, INC. (US) 2010-01-14 WO disclosed