SCHEMBL8587610

SCHEMBL8587610

CCOc1ccccc1C(=O)OC(=O)CC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.57
L3MBTL1 Q9Y468 4/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
GLA P06280 1/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 1/20 0.49
KDM4E B2RXH2 2/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.47
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 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
SCHEMBL28992535 0.91 HCRTR1 (0.62) HCRTR1L3MBTL1MAPTALDH1A1GAA
SCHEMBL1006864 0.88 HCRTR1 (0.58) HCRTR1L3MBTL1MAPTALDH1A1GAA
SCHEMBL28213609 0.87 ADRB2 (0.52) L3MBTL1MAPTALDH1A1KMT2ANPSR1
SCHEMBL3807657 0.87 HCRTR1 (0.48) HCRTR1L3MBTL1MAPTALDH1A1GAA
SCHEMBL18224473 0.86 HCRTR1 (0.57) HCRTR1L3MBTL1MAPTALDH1A1GAA
SCHEMBL6589832 0.86 HCRTR1 (0.57) HCRTR1L3MBTL1MAPTALDH1A1GAA
SCHEMBL28373054 0.86 HCRTR1 (0.50) HCRTR1L3MBTL1MAPTALDH1A1GAA
SCHEMBL6787728 0.84 KDM4E (0.51) MAPTALDH1A1ESR1KMT2AMEN1
SCHEMBL27875398 0.84 CTSD (0.54) L3MBTL1MAPTALDH1A1GAAMAPK1
SCHEMBL8025089 0.84 HTT (0.59) L3MBTL1MAPTALDH1A1GAAKMT2A

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-1998051659-A1 SALICYLOXY α-CARBOXY ACIDS AND PREPARATION THEREOF UNILEVER PLC (GB) 1998-11-19 WO disclosed