SCHEMBL21834992

SCHEMBL21834992

NC(CCSCC(N)C(=O)O)C(=O)O.NC(CCSCC(N)C(=O)O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 11/20 0.62
ARG1 P05089 1/20 0.62
ARG2 P78540 1/20 0.62
BHMT2 Q9H2M3 1/20 0.60
NOS2 P35228 5/20 0.59
NOS1 P29475 3/20 0.59
NOS3 P29474 2/20 0.59

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
SCHEMBL14421003 1.00 BHMT (0.62) BHMTARG1ARG2BHMT2NOS2
SCHEMBL30195929 1.00 BHMT (0.62) BHMTARG1ARG2BHMT2NOS2
SCHEMBL81862 1.00 BHMT (0.62) BHMTARG1ARG2BHMT2NOS2
SCHEMBL81860 1.00 BHMT (0.62) BHMTARG1ARG2BHMT2NOS2
SCHEMBL15641674 1.00 BHMT (0.62) BHMTARG1ARG2BHMT2NOS2
SCHEMBL81861 1.00 BHMT (0.62) BHMTARG1ARG2BHMT2NOS2
SCHEMBL28144549 1.00 BHMT (0.62) BHMTARG1ARG2BHMT2NOS2
SCHEMBL1158215 1.00 BHMT (0.62) BHMTARG1ARG2BHMT2NOS2
SCHEMBL21834991 1.00 BHMT (0.62) BHMTARG1ARG2BHMT2NOS2
Hydrochloric Acid SCHEMBL28420938 0.98 BHMT (0.60) BHMTARG1ARG2BHMT2NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020203878-A1 EVALUATING METHOD, CALCULATING METHOD, EVALUATING DEVICE, CALCULATING DEVICE, EVALUATING PROGRAM, CALCULATING PROGRAM, STORAGE MEDIUM, EVALUATING SYSTEM, AND TERMINAL DEVICE OF AMYLOID BETA ACCUMULATION IN BRAIN 味の素株式会社 2020-10-08 WO disclosed
WO-2020067386-A1 MILD-COGNITIVE-IMPAIRMENT EVALUATION METHOD, CALCULATION METHOD, EVALUATION DEVICE, CALCULATION DEVICE, EVALUATION PROGRAM, CALCULATION PROGRAM, RECORDING MEDIUM, EVALUATION SYSTEM, AND TERMINAL DEVICE 味の素株式会社 2020-04-02 WO disclosed
CN-110261601-A A kind of homocysteine detection kit 三诺生物传感股份有限公司 2019-09-20 CN disclosed