SCHEMBL4592235

SCHEMBL4592235

C#CCOC(=O)C(O)CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
OR51E2 Q9H255 1/20 0.39
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
POLB P06746 1/20 0.33
GSTP1 P09211 1/20 0.33
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
NFKB1 P19838 1/20 0.30

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
SCHEMBL10012363 0.78 GSTP1 (0.38) NPC1SLC1A3SLC1A2SLC1A1CA12
SCHEMBL15583801 0.78 NPC1 (0.43) NPC1SLC1A3SLC1A2SLC1A1CA12
SCHEMBL486386 0.76 SLC1A1 (0.41) NPC1SLC1A3SLC1A2SLC1A1CA12
SCHEMBL486384 0.76 SLC1A1 (0.41) NPC1SLC1A3SLC1A2SLC1A1CA12
SCHEMBL18175955 0.75 USP2 (0.38) OR51E2CYP1A2CYP2D6
SCHEMBL3441145 0.74
SCHEMBL4593413 0.74
SCHEMBL18175954 0.74 MMP1 (0.36) OR51E2
SCHEMBL28152670 0.74 PDE4A (0.48) NPC1SLC1A3SLC1A2SLC1A1
SCHEMBL18658444 0.73 SLC1A3 (0.42) NPC1SLC1A3SLC1A2SLC1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115368560-A Polyethylene glycol-block-poly (methionine) -graft-trehalose polymer, and preparation method and application thereof 天津大学 2022-11-22 CN disclosed
EP-3145019-A1 NON-AQUEOUS ELECTROLYTE, POWER STORAGE DEVICE USING SAME, AND LITHIUM SALT USED FOR SAME UBE Industries, Ltd. (JP) 2017-03-22 EP disclosed
EP-3086396-A1 NONAQUEOUS ELECTROLYTE, CAPACITOR DEVICE USING SAME, AND CARBOXYLIC ACID ESTER COMPOUND USED IN SAME UBE Industries, Ltd. (JP) 2016-10-26 EP disclosed
EP-1932505-B1 W/O emulsion with a skin-correcting effect OREAL (FR) 2012-12-26 EP disclosed
EP-1932505-A1 W/O emulsion with a skin-correcting effect L'Oréal (FR) 2008-06-18 EP disclosed
EP-1908494-A1 Cleaning composition containing hollow hemispheric particles L'Oréal (FR) 2008-04-09 EP disclosed
US-5164069-A PRINTED CIRCUITS SHIPLEY COMPANY INC. (US) 1992-11-17 US disclosed