SCHEMBL3628494

SCHEMBL3628494

CC(C(=O)O)c1ccccc1Oc1c(Cl)cccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 3/20 0.54
FABP4 P15090 2/20 0.47
FABP5 Q01469 2/20 0.47
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
PTGS1 P23219 2/20 0.43
PTGS2 P35354 1/20 0.43
CAMK2A Q9UQM7 1/20 0.42
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
CCR2 P41597 1/20 0.38
RORC P51449 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL1345130 1.00 CXCL8 (0.54) CXCL8FABP4FABP5HDAC1HDAC8
SCHEMBL3630480 1.00 CXCL8 (0.54) CXCL8FABP4FABP5HDAC1HDAC8
SCHEMBL1346100 0.88 CXCL8 (0.52) CXCL8FABP4FABP5AKR1C3AKR1C2
SCHEMBL11833301 0.88 CXCL8 (0.52) CXCL8FABP4FABP5AKR1C3AKR1C2
SCHEMBL11124056 0.80 CXCL8 (0.49) CXCL8FABP4FABP5AKR1C3AKR1C2
SCHEMBL1345669 0.79 PTGS1 (0.54) CXCL8PTGS1PTGS2KMT2AMEN1
SCHEMBL3817959 0.79 PTGS1 (0.54) CXCL8PTGS1PTGS2KMT2AMEN1
SCHEMBL8875079 0.79 PTGS1 (0.54) CXCL8PTGS1PTGS2KMT2AMEN1
SCHEMBL11826285 0.79 HTR2A (0.60) CXCL8PTGS1PTGS2KMT2AMEN1
SCHEMBL11094201 0.78 CXCL8 (0.50) CXCL8FABP4FABP5AKR1C3AKR1C2

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 claimed
EP-2229942-A1 2-Aryl-propionic acids and pharmaceutical compositions containing them Dompe S.p.A. (IT) 2010-09-22 EP claimed
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