SCHEMBL3380674

SCHEMBL3380674

O=CN1CCC(O)C(O)C1O

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.31
GAA P10253 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
NGLY1 Q96IV0 1/20 0.30
GBA2 Q9HCG7 1/20 0.30
GANAB Q14697 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
SCHEMBL2973493 0.73
SCHEMBL11031394 0.71 TFPI2 (0.31)
SCHEMBL9547230 0.70
SCHEMBL3378196 0.64 GAA (0.30) GBA1GAAMEN1CYP1A2CYP2C9
SCHEMBL7888503 0.64 GBA1 (0.41) GBA1GAAMEN1CYP1A2CYP2C9
SCHEMBL7887115 0.64 GBA1 (0.41) GBA1GAAMEN1CYP1A2CYP2C9
SCHEMBL7893120 0.64 GBA1 (0.41) GBA1GAAMEN1CYP1A2CYP2C9
SCHEMBL7881588 0.64 GBA1 (0.41) GBA1GAAMEN1CYP1A2CYP2C9
SCHEMBL9710934 0.64 GBA1 (0.41) GBA1GAAMEN1CYP1A2CYP2C9
SCHEMBL9845642 0.62 TRPA1 (0.33) MEN1KMT2A

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
WO-2010049678-A2 TREATMENT OF ENERGY UTILIZATION DISEASES SUMMIT CORPORATION PLC (GB) 2010-05-06 WO disclosed