SCHEMBL8522917

SCHEMBL8522917

CC(C(=O)O)c1ccccc1C(=O)c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.55
PTGS2 P35354 4/20 0.55
LIG1 P18858 1/20 0.54
MAPT P10636 4/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
RAB9A P51151 1/20 0.47
BCL2 P10415 1/20 0.45
MCL1 Q07820 1/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 3/20 0.44
CXCR1 P25024 2/20 0.44
CXCR2 P25025 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 2/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 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
SCHEMBL4144845 0.90 PTGS2 (0.57) PTGS1PTGS2MAPTKMT2ALMNA
SCHEMBL3355855 0.90 PTGS2 (0.57) PTGS1PTGS2MAPTKMT2ALMNA
SCHEMBL28518456 0.86 LIG1 (0.61) LIG1MAPTKMT2ALMNAMEN1
SCHEMBL8523457 0.83 PTGS1 (0.55) PTGS1PTGS2MAPTKMT2ALMNA
SCHEMBL4486188 0.81 AKR1C3 (0.50) PTGS1PTGS2MAPTKMT2ALMNA
SCHEMBL8576518 0.81 PTGS1 (0.55) PTGS1PTGS2MAPTLMNABCL2
SCHEMBL3150960 0.80 PTGS2 (0.50) PTGS1PTGS2LIG1MAPTKMT2A
SCHEMBL2998970 0.79 PTGS1 (0.47) PTGS1PTGS2MAPTLMNABCL2
SCHEMBL13668901 0.79 PTGS1 (0.53) PTGS1PTGS2MAPTLMNABCL2
SCHEMBL1122739 0.77 BCL2 (0.64) PTGS1PTGS2MAPTKMT2ALMNA

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