SCHEMBL11601663

SCHEMBL11601663

CCOc1ccccc1C(=O)C=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.58
L3MBTL1 Q9Y468 4/20 0.51
GLA P06280 1/20 0.51
MAPT P10636 4/20 0.51
MAPK1 P28482 2/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
RAB9A P51151 1/20 0.48
TSHR P16473 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL3029796 0.86 HCRTR1 (0.58) HCRTR1L3MBTL1GLAMAPTMAPK1
SCHEMBL10592502 0.86 HCRTR1 (0.58) HCRTR1L3MBTL1GLAMAPTMAPK1
SCHEMBL11602712 0.85 LMNA (0.59) L3MBTL1MAPTMAPK1NPSR1MEN1
Water SCHEMBL11089583 0.83 LMNA (0.57) L3MBTL1MAPTMAPK1NPSR1MEN1
SCHEMBL3835541 0.82 LMNA (0.68) L3MBTL1MAPTMAPK1NPSR1MEN1
SCHEMBL206583 0.81 HCRTR1 (0.66) HCRTR1L3MBTL1GLAMAPTMAPK1
SCHEMBL11763044 0.81 HCRTR1 (0.66) HCRTR1L3MBTL1GLAMAPTMAPK1
SCHEMBL6969031 0.81 HCRTR1 (0.66) HCRTR1L3MBTL1GLAMAPTMAPK1
SCHEMBL9449107 0.80 HCRTR1 (0.53) HCRTR1L3MBTL1GLAMAPTMAPK1
SCHEMBL124831 0.79 ALDH1A1 (0.65) HCRTR1L3MBTL1GLAMAPTMAPK1

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
US-4131686-A ANTIDIABETIC TANABE SEIYAKU CO., LTD. (JP) 1978-12-26 US disclosed