SCHEMBL6969031

SCHEMBL6969031

CCOc1ccccc1C([O])=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.66
L3MBTL1 Q9Y468 4/20 0.58
GLA P06280 1/20 0.58
MAPT P10636 4/20 0.57
GAA P10253 2/20 0.57
MAPK1 P28482 2/20 0.57
NPSR1 Q6W5P4 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
LMNA P02545 1/20 0.54
KDM4E B2RXH2 2/20 0.54
HTT P42858 1/20 0.54
KCNK3 O14649 1/20 0.53
KCNK9 Q9NPC2 1/20 0.53
RAB9A P51151 1/20 0.53
TSHR P16473 2/20 0.51
ALOX15 P16050 1/20 0.51

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
Bicarbonate SCHEMBL21812140 0.88 ALDH1A1 (0.62) HCRTR1L3MBTL1GLAMAPTGAA
Benzene SCHEMBL28074659 0.88 ALDH1A1 (0.62) HCRTR1L3MBTL1GLAMAPTGAA
Bicarbonate SCHEMBL29943568 0.88 ALDH1A1 (0.62) HCRTR1L3MBTL1GLAMAPTGAA
Bicarbonate SCHEMBL237486 0.88 ALDH1A1 (0.62) HCRTR1L3MBTL1GLAMAPTGAA
SCHEMBL11763044 0.88 HCRTR1 (0.66) HCRTR1L3MBTL1GLAMAPTGAA
SCHEMBL206583 0.88 HCRTR1 (0.66) HCRTR1L3MBTL1GLAMAPTGAA
SCHEMBL30292656 0.86 LMNA (0.71) HCRTR1L3MBTL1GLAMAPTGAA
SCHEMBL335970 0.86 LMNA (0.71) HCRTR1L3MBTL1GLAMAPTGAA
Benzene SCHEMBL27314454 0.86 ALDH1A1 (0.65) HCRTR1L3MBTL1GLAMAPTGAA
SCHEMBL124831 0.86 ALDH1A1 (0.65) HCRTR1L3MBTL1GLAMAPTGAA

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed