SCHEMBL5159898

SCHEMBL5159898

COC(C)(C)O[C@@H](CO)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.41
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
UTS2R Q9UKP6 5/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRB2 P07550 1/20 0.33

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
SCHEMBL5159911 1.00 AOC3 (0.41) AOC3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17724418 0.83 GSR (0.45) LMNAMEN1KMT2ATSHRL3MBTL1
SCHEMBL5154543 0.83 AOC3 (0.48) AOC3MEN1KMT2ASMN1; SMN2ADRB2
SCHEMBL5154532 0.83 AOC3 (0.48) AOC3MEN1KMT2ASMN1; SMN2ADRB2
SCHEMBL1155354 0.78 AOC3 (0.58) AOC3UTS2RLMNAMEN1KMT2A
SCHEMBL5156220 0.76 AOC3 (0.36) AOC3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5156206 0.76 AOC3 (0.36) AOC3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5156215 0.76 AOC3 (0.36) AOC3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3681295 0.74 ADRB2 (0.42) AOC3MEN1KMT2ATSHRHIF1A
SCHEMBL5157287 0.74 TSHR (0.36) AOC3GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1236714-B1 ACETALSULFONATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING STYRENE OXIDE DERIVATIVE MITSUBISHI RAYON CO (JP) 2007-01-17 EP disclosed
US-6642395-B1 Esterifying mandelic acid derivative; protecting hydroxyl group and reducing ester; sulfonating and epoxidizing MITSUBISHI RAYON CO., LTD. (JP) 2003-11-04 US disclosed
EP-1236714-A1 ACETALSULFONATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING STYRENE OXIDE DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2002-09-04 EP disclosed