SCHEMBL7333041

SCHEMBL7333041

CC(=O)Nc1ccc(C(=O)O)c(O)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
HSD17B10 Q99714 3/20 0.51
GRM1 Q13255 1/20 0.46
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
SELP P16109 2/20 0.42
SELL P14151 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
APOBEC3A P31941 1/20 0.39
GFER P55789 1/20 0.39
HDAC1 Q13547 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39

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
SCHEMBL10620933 0.82 ALDH1A1 (0.58) KDM4EHSD17B10MAPTPOLBNPC1
SCHEMBL13715485 0.81 KDM4E (0.58) KDM4EHSD17B10MAPTPOLBNPC1
SCHEMBL13715472 0.81 KDM4E (0.50) KDM4EHSD17B10MAPTPOLBNPC1
SCHEMBL4826054 0.79 ALDH1A1 (0.52) KDM4EHSD17B10MAPTPOLBNPC1
SCHEMBL5682959 0.78 KDM4E (0.47) KDM4EHSD17B10MAPTPOLBNPC1
SCHEMBL6474760 0.78 KDM4E (0.47) KDM4EHSD17B10MAPTPOLBNPC1
SCHEMBL6290067 0.78 ELANE (0.40) KDM4EHSD17B10GRM1MAPTALDH1A1
SCHEMBL5875105 0.77 KDM4E (0.50) KDM4EHSD17B10MAPTPOLBNPC1
SCHEMBL8718307 0.77 MAPT (0.55) KDM4EHSD17B10MAPTPOLBNPC1
SCHEMBL2965923 0.77 KDM4E (0.43) KDM4EHSD17B10MAPTPOLBNPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127379-A TREATING IRRITABLE BOWEL SYNDROME, URINARY INCONTINENCE, ATRIAL ARRHYTHMIA OR STROKE SMITHKLINE BEECHAM P.L.C. (GB) 2000-10-03 US disclosed
US-5708174-A Heterocyclic-esters or -amides used as 5-HT4 receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 1998-01-13 US disclosed
EP-0664805-A1 HETEROCYCLIC -ESTERS OR -AMIDES USED AS 5-HT 4? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-08-02 EP disclosed
EP-0625149-A1 BENZOPYRAN, BENZOTHIOPYRAN AND BENZOFURAN DERIVATIVES AS 5-HT4 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-11-23 EP disclosed
WO-1994008994-A1 HETEROCYCLIC -ESTERS OR -AMIDES USED AS 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-04-28 WO disclosed
WO-1993016072-A1 BENZOPYRAN, BENZOTHIOPYRAN AND BENZOFURAN DERIVATIVES AS 5-HT4 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-08-19 WO disclosed