SCHEMBL4790665

SCHEMBL4790665

Cc1ccccc1C(=O)OCCOC(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.56
ALDH1A1 P00352 6/20 0.53
L3MBTL1 Q9Y468 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 4/20 0.49
TP53 P04637 2/20 0.49
CYP3A4 P08684 2/20 0.49
MAPK1 P28482 2/20 0.49
LMNA P02545 2/20 0.49
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GLA P06280 1/20 0.47
HIF1A Q16665 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
SCHEMBL17797782 0.91 TSHR (0.66) TSHRALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL8433421 0.86 TSHR (0.59) TSHRALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL16049266 0.86 TSHR (0.59) TSHRALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL17797867 0.86 TSHR (0.59) TSHRALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL14409194 0.84 TSHR (0.79) TSHRALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL28866385 0.84 ALDH1A1 (0.55) TSHRALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL14984028 0.84 TSHR (0.68) TSHRALDH1A1L3MBTL1TDP1MEN1
SCHEMBL29860709 0.84 TSHR (0.65) TSHRALDH1A1L3MBTL1TDP1MEN1
SCHEMBL29860961 0.83 LMNA (0.61) TSHRALDH1A1L3MBTL1NPC1RAB9A
Propene SCHEMBL17797847 0.83 TSHR (0.56) TSHRALDH1A1L3MBTL1NPC1RAB9A

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-2008013860-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF ALPHA-AMINO ACIDS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2008-01-31 WO claimed