SCHEMBL14333370

SCHEMBL14333370

CCOc1ccccc1C(=O)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.60
L3MBTL1 Q9Y468 4/20 0.58
GLA P06280 1/20 0.58
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 4/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 2/20 0.51
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
NOD2 Q9HC29 1/20 0.49
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
TSHR P16473 1/20 0.48

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
SCHEMBL11763044 0.90 HCRTR1 (0.66) HCRTR1L3MBTL1GLAMEN1KMT2A
SCHEMBL28840677 0.86 HCRTR1 (0.54) HCRTR1L3MBTL1GLAMEN1KMT2A
SCHEMBL124831 0.85 ALDH1A1 (0.65) HCRTR1L3MBTL1GLAMEN1KMT2A
Benzene SCHEMBL27314454 0.85 ALDH1A1 (0.65) HCRTR1L3MBTL1GLAMEN1KMT2A
Bicarbonate SCHEMBL237486 0.83 ALDH1A1 (0.62) HCRTR1L3MBTL1GLAMEN1KMT2A
Bicarbonate SCHEMBL21812140 0.83 ALDH1A1 (0.62) HCRTR1L3MBTL1GLAMEN1KMT2A
SCHEMBL11412997 0.83 ALDH1A1 (0.62) HCRTR1L3MBTL1GLAMEN1KMT2A
Hydrochloric Acid SCHEMBL3529351 0.83 ALDH1A1 (0.62) HCRTR1L3MBTL1GLAMEN1KMT2A
SCHEMBL28803874 0.83 ALDH1A1 (0.62) HCRTR1L3MBTL1GLAMEN1KMT2A
Bicarbonate SCHEMBL29943568 0.83 ALDH1A1 (0.62) HCRTR1L3MBTL1GLAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012176930-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-27 WO disclosed