SCHEMBL8523458

SCHEMBL8523458

CC(C(=O)O)c1ccc(C(=O)c2cccc(O)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.67
PTGS1 P23219 6/20 0.67
MAPT P10636 3/20 0.67
CXCR1 P25024 2/20 0.67
CXCR2 P25025 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
KDM4E B2RXH2 2/20 0.67
ALDH1A1 P00352 2/20 0.67
LMNA P02545 2/20 0.67
HPGD P15428 2/20 0.67
RECQL P46063 1/20 0.67
CYP3A4 P08684 1/20 0.67
MAPK1 P28482 1/20 0.67
PMP22 Q01453 1/20 0.67
SLC22A6 Q4U2R8 1/20 0.67
HSD17B10 Q99714 1/20 0.67
CXCL8 P10145 1/20 0.67
THPO P40225 1/20 0.67
HIF1A Q16665 1/20 0.67
CLK1 P49759 1/20 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
SCHEMBL7704968 0.85 PTGS2 (0.71) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL5313395 0.85 PTGS2 (0.71) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL4255166 0.83 LMNA (0.58) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL11705299 0.81 PTGS2 (0.62) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL11705293 0.81 PTGS2 (0.62) PTGS2PTGS1MAPTCXCR1CXCR2
Ketoprofen SCHEMBL8754790 0.80 PTGS1 (1.00) PTGS2PTGS1MAPTCXCR1CXCR2
Dexketoprofen SCHEMBL29396875 0.80 PTGS1 (1.00) PTGS2PTGS1MAPTCXCR1CXCR2
Ketoprofen SCHEMBL679920 0.80 PTGS1 (1.00) PTGS2PTGS1MAPTCXCR1CXCR2
Ketoprofen SCHEMBL3843886 0.80 PTGS1 (1.00) PTGS2PTGS1MAPTCXCR1CXCR2
R-Ketoprofen SCHEMBL29353694 0.80 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923527-A1 A PROCESS FOR THE PREPARATION OF 2-(3-BENZOYL-PHENYL)-PROPIONIC ACID STARTING FROM ARYL-OLEFINS Dompé S.P.A. (IT) 1999-06-23 EP disclosed
WO-1998005623-A1 A PROCESS FOR THE PREPARATION OF 2-ARYL-PROPIONIC AND 2-ARYL-ACETIC ACIDS STARTING FROM ARYL-OLEFINS DOMPE' S.P.A. (IT) 1998-02-12 WO disclosed