SCHEMBL6024937

SCHEMBL6024937

Cc1ccc(C(=O)c2ccn(C)c2CC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.51
CXCL8 P10145 1/20 0.51
AKR1B1 P15121 1/20 0.51
PTGS1 P23219 1/20 0.51
GLO1 Q04760 1/20 0.51
AKR1C3 P42330 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
SRD5A2 P31213 3/20 0.44
ABCB11 O95342 1/20 0.41
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 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
SCHEMBL11609371 0.79 ALDH1A1 (0.42) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL3988622 0.79 NOTUM (0.38) AKR1B1ALDH1A1KMT2AHPGDTDP1
SCHEMBL11727844 0.77 ALDH1A1 (0.54) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL3814670 0.73 KLKB1 (0.38) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL11299831 0.72 PTGS2 (0.58) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL11711178 0.72 PTGS2 (0.58) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL11369958 0.72 PTGS2 (0.48) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8606633 0.72 PTGS2 (0.61) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7681255 0.70 PTGS2 (0.51) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL11717591 0.70 PTGS2 (0.58) PTGS2CXCL8AKR1B1PTGS1GLO1

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
US-20060154954-A1 Combinations and use of selected pharmaceutically active compounds ALTANA PHARMA AG (DE) 2006-07-13 US claimed
EP-0006845-A1 Pharmaceutical composition comprising a 5-aroyl-1-C1-5 alkyl-pyrrole-2-acetic acid compound and acetaminophen or acetylsalicylic acid McNeilab, Inc. (US) 1980-01-23 EP disclosed