SCHEMBL12018972

SCHEMBL12018972

C/C=C(\CC)c1cccc(C(C)C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 8/20 0.60
▸ PTGS1 P23219 5/20 0.60
▸ MAPT P10636 2/20 0.60
▸ CXCR1 P25024 2/20 0.60
▸ CXCR2 P25025 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ RECQL P46063 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ PMP22 Q01453 1/20 0.60
▸ SLC22A6 Q4U2R8 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ CXCL8 P10145 1/20 0.60
▸ THPO P40225 1/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ AKR1C3 P42330 5/20 0.44

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
SCHEMBL1345357 1.00 PTGS2 (0.60) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL21556465 0.82 MAPT (0.44) PTGS2PTGS1MAPTCXCR1CXCR2
Ketoprofen SCHEMBL8371567 0.79 PTGS1 (0.85) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL1344993 0.77 PTGS1 (0.72) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL6717009 0.77 PTGS1 (0.72) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL1344992 0.77 PTGS1 (0.72) PTGS2PTGS1MAPTCXCR1CXCR2
Ketoprofen SCHEMBL27834432 0.77 PTGS1 (0.88) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL602096 0.76 PTGS2 (0.69) PTGS2PTGS1MAPTCXCR1CXCR2
R-Ketoprofen SCHEMBL195303 0.76 PTGS1 (1.00) PTGS2PTGS1MAPTCXCR1CXCR2
Ketoprofen SCHEMBL679920 0.76 PTGS1 (1.00) PTGS2PTGS1MAPTCXCR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2229942-B1 2-Aryl-propionic acids and pharmaceutical compositions containing them DOMPE SPA (IT) 2012-08-29 — — EP disclosed
US-8063242-B2 for treatment of neutrofil-dependent pathologies such as psoriasis, ulcerative colitis, melanoma, chronic obstructive pulmonary disease (COPD), bollous pemphigo, rheumatoid arthritis, idiopathic fibrosis, glomerulonephritis; prevention and treatment of damages caused by ischemia and reperfusion DOMPE PHA.R.MA S.P.A. (IT) 2011-11-22 — — US disclosed
US-8063242-B2 for treatment of neutrofil-dependent pathologies such as psoriasis, ulcerative colitis, melanoma, chronic obstructive pulmonary disease (COPD), bollous pemphigo, rheumatoid arthritis, idiopathic fibrosis, glomerulonephritis; prevention and treatment of damages caused by ischemia and reperfusion DOMPE PHA.R.MA S.P.A. (IT) 2011-11-22 — — US disclosed
EP-2229942-A1 2-Aryl-propionic acids and pharmaceutical compositions containing them Dompe S.p.A. (IT) 2010-09-22 — — EP disclosed
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