SCHEMBL28867212

SCHEMBL28867212

CCCCCCCCCCCCCCCCCCN1C[C@H](O)C[C@H]1C(=O)O.CCCCCCCCCCCCCCCCN1C[C@H](O)C[C@H]1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
GBA2 Q9HCG7 11/20 0.42
GBA1 P04062 7/20 0.42
GAA P10253 2/20 0.42
UGCG Q16739 1/20 0.42
GUSB P08236 2/20 0.41

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
SCHEMBL29961269 1.00 ATM (0.45) ATMGBA2GBA1GAAUGCG
SCHEMBL455059 1.00 ATM (0.45) ATMGBA2GBA1GAAUGCG
SCHEMBL8163014 1.00 ATM (0.45) ATMGBA2GBA1GAAUGCG
SCHEMBL8155446 1.00 ATM (0.45) ATMGBA2GBA1GAAUGCG
SCHEMBL452991 1.00 ATM (0.45) ATMGBA2GBA1GAAUGCG
SCHEMBL10853886 1.00 ATM (0.45) ATMGBA2GBA1GAAUGCG
SCHEMBL8875794 1.00 ATM (0.45) ATMGBA2GBA1GAAUGCG
SCHEMBL8163625 1.00 ATM (0.45) ATMGBA2GBA1GAAUGCG
SCHEMBL8164154 1.00 ATM (0.45) ATMGBA2GBA1GAAUGCG
SCHEMBL8163413 1.00 ATM (0.45) ATMGBA2GBA1GAAUGCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111562321-B Fecal metabolite for detecting active tuberculosis and detection system thereof 广东省结核病控制中心 2022-10-28 CN claimed
CN-111537629-B Lipid in feces for detecting active tuberculosis and detection system thereof 广东省结核病控制中心 2022-10-25 CN claimed
CN-111537629-B Lipid in feces for detecting active tuberculosis and detection system thereof 广东省结核病控制中心 2022-10-25 CN disclosed
CN-111562321-A Fecal metabolite for detecting active tuberculosis and detection system thereof 广东省结核病控制中心 2020-08-21 CN disclosed