SCHEMBL28088941

SCHEMBL28088941

OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](CO)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
CA1 P00915 3/20 0.38
TSHR P16473 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
RCE1 Q9Y256 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL9439454 0.93 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL1883601 0.93 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL29752790 0.89 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL27452345 0.89 TRPA1 (0.39) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL184393 0.89 TRPA1 (0.39) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL4888622 0.89 TRPA1 (0.39) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL8842982 0.89 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL614140 0.87 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL19514786 0.87 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL6549684 0.87 CA1 (0.47) SLC1A1KMT2ACA1TSHRCA2

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
CN-102934165-B New polyester ethers derived from asymmetrical monomers based on bisanhydrohexitols 新泽西理工学院 2016-09-14 CN disclosed