SCHEMBL28091302

SCHEMBL28091302

C#CCOC(CCO)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
GSR P00390 1/20 0.37
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC6A4 P31645 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
HSD11B1 P28845 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRNB2 P17787 1/20 0.31

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
Ammonia Solution, Strong SCHEMBL28227262 0.98 TRPA1 (0.38) TRPA1GSRNPC1CYP1A2CYP3A4
SCHEMBL7090878 0.80 TRPA1 (0.44) TRPA1GSRCYP1A2CYP3A4CYP2D6
SCHEMBL28067361 0.79 KCNH2 (0.41) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL7960668 0.77 TRPA1 (0.46) TRPA1GSRSLC6A4
SCHEMBL18982890 0.75 TRPA1 (0.47) TRPA1GSRSLC6A4ALDH1A1SLC6A2
SCHEMBL19173724 0.75 TRPA1 (0.41) TRPA1GSRCYP1A2CYP2D6TSHR
SCHEMBL8749377 0.74 NPC1 (0.40) NPC1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21280877 0.74 TRPA1 (0.43) TRPA1GSRCYP1A2CYP3A4CYP2D6
SCHEMBL17288627 0.74 MEN1 (0.51) CYP1A2CYP2D6TSHRSLC6A4SMN1; SMN2
SCHEMBL6455092 0.74 NPC1 (0.38) NPC1CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108285482-A Through modifying relaxain polypeptide and application thereof 阿姆布埃克斯股份有限公司 2018-07-17 CN disclosed
CN-101541955-B Hybrid suppressor tRNA for vertebrate cells AMBRX公司 2016-09-28 CN disclosed