SCHEMBL8729441

SCHEMBL8729441

Cc1ccc(-c2ccc(C(=O)c3ccc(CC(=O)O)n3C)cc2)cc1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.91
CXCL8 P10145 1/20 0.91
AKR1B1 P15121 1/20 0.91
PTGS1 P23219 1/20 0.91
GLO1 Q04760 1/20 0.91
HPGD P15428 2/20 0.68
ABCB11 O95342 1/20 0.45
ALDH1A1 P00352 5/20 0.42
LMNA P02545 1/20 0.42
SRD5A2 P31213 2/20 0.41
KMT2A Q03164 3/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
ALOX12 P18054 1/20 0.38
APEX1 P27695 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.37

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
Tolmetin SCHEMBL3150 0.96 PTGS2 (1.00) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL11325188 0.96 PTGS2 (1.00) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL29461 0.94 PTGS2 (0.97) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL11486460 0.94 PTGS2 (0.97) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL28562007 0.94 PTGS2 (0.97) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL5980424 0.94 PTGS2 (0.97) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL28723181 0.93 PTGS2 (0.94) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL3500471 0.93 PTGS2 (0.94) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL10814156 0.90 PTGS2 (0.89) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8458232 0.90 PTGS1 (0.74) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783488-A4 FIVE MEMBERED HETEROCYCLIC COMPOUNDS ONO PHARMACEUTICAL CO (JP) 1998-01-07 EP claimed
EP-0783488-A1 FIVE MEMBERED HETEROCYCLIC COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 1997-07-16 EP claimed
WO-1996010013-A1 FIVE MEMBERED HETEROCYCLIC COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 1996-04-04 WO claimed