SCHEMBL18171391

SCHEMBL18171391

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.36
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
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
CHRM3 P20309 1/20 0.30
THPO P40225 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
SCHEMBL21561634 0.81 CYP4F2 (0.41) CYP4F2CYP4A11ZDHHC20KDM4EPKM
SCHEMBL18175903 0.79 NPC1 (0.34) ZDHHC20NPC1TSHRL3MBTL1POLB
SCHEMBL17914698 0.79 NPC1 (0.34) ZDHHC20NPC1TSHRL3MBTL1POLB
SCHEMBL5138771 0.79 CYP4F2 (0.48) CYP4F2CYP4A11KDM4EPKM
SCHEMBL379260 0.78 NPC1 (0.38) ZDHHC20NPC1TSHRL3MBTL1POLB
SCHEMBL5000137 0.77 CYP4F2 (0.62) CYP4F2CYP4A11KDM4EPKMCYP1A2
SCHEMBL12769218 0.76 NPC1 (0.37) ZDHHC20NPC1TSHRL3MBTL1POLB
SCHEMBL12755486 0.76 NPC1 (0.37) CYP4F2CYP4A11ZDHHC20NPC1TSHR
SCHEMBL19105275 0.74 ACHE (0.36) ZDHHC20NPC1TSHRL3MBTL1POLB
SCHEMBL18175902 0.74 NPC1 (0.36) ZDHHC20NPC1TSHRL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091588-B2 Clickable waterborne polymers and click-crosslinked waterborne polymers, clickable functional compounds, click functionalized waterborne polymers, and uses thereof THE PENN STATE RESEARCH FOUNDATION (US) 2021-08-17 US disclosed
CN-107614570-B Click-reactable aqueous polymer and click-crosslinking aqueous polymer, click-reactable functional compound, click-functionalized aqueous polymer and use thereof 宾州研究基金会 2021-01-29 CN disclosed
US-20190211148-A1 CLICKABLE WATERBORNE POLYMERS AND CLICK-CROSSLINKED WATERBORNE POLYMERS, CLICKABLE FUNCTIONAL COMPOUNDS, CLICK FUNCTIONALIZED WATERBORNE POLYMERS, AND USES THEREOF THE PENN STATE RESEARCH FOUNDATION 2019-07-11 US disclosed
EP-3286247-A1 CLICKABLE WATERBORNE POLYMERS AND CLICK-CROSSLINKED WATERBORNE POLYMERS The Penn State Research Foundation (US) 2018-02-28 EP disclosed
WO-2016172681-A1 CLICKABLE WATERBORNE POLYMERS AND CLICK-CROSSLINKED WATERBORNE POLYMERS THE PENN STATE RESEARCH FOUNDATION (US) 2016-10-27 WO disclosed
US-20160311973-A1 CLICKABLE WATERBORNE POLYMERS AND CLICK-CROSSLINKED WATERBORNE POLYMERS, CLICKABLE FUNCTIONAL COMPOUNDS, CLICK FUNCTIONALIZED WATERBORNE POLYMERS, AND USES THEREOF THE PENN STATE RESEARCH FOUNDATION 2016-10-27 US disclosed