SCHEMBL18253254

SCHEMBL18253254

O=C(O)C1CC(O)C(O)[C@@H](O)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 3/20 0.43
SLC1A2 P43004 3/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GRM8 O00222 1/20 0.39
GRM6 O15303 1/20 0.39
LMNA P02545 1/20 0.39
APEX1 P27695 1/20 0.39
GRM5 P41594 1/20 0.39
PMP22 Q01453 1/20 0.39
GRM1 Q13255 1/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
GRM4 Q14833 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC1A1 P43005 2/20 0.38
GABRR2 P28476 1/20 0.37

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
SCHEMBL16380722 1.00 GABRR1 (0.43) GABRR1SLC1A2CYP2C9CYP2C19GRM8
SCHEMBL17484815 1.00 GABRR1 (0.43) GABRR1SLC1A2CYP2C9CYP2C19GRM8
SCHEMBL163825 1.00 GABRR1 (0.43) GABRR1SLC1A2CYP2C9CYP2C19GRM8
SCHEMBL30756696 1.00 GABRR1 (0.43) GABRR1SLC1A2CYP2C9CYP2C19GRM8
SCHEMBL28265022 0.88
SCHEMBL14191347 0.81 GABRR1 (0.42) GABRR1SLC1A2SLC1A1GABRR2
SCHEMBL22602662 0.81 GABRR1 (0.42) GABRR1SLC1A2SLC1A1GABRR2
SCHEMBL19762835 0.81 GABRR1 (0.42) GABRR1SLC1A2SLC1A1GABRR2
SCHEMBL4083282 0.79 GABRR1 (0.50) GABRR1SLC1A2CYP2C9CYP2C19GRM8
SCHEMBL3742301 0.79 GABRR1 (0.50) GABRR1SLC1A2CYP2C9CYP2C19GRM8

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
US-20160340686-A1 Improved Digestibility of Plant Biomass OHIO UNIVERSITY 2016-11-24 US disclosed