SCHEMBL500669

SCHEMBL500669

C=CCC(C)(N)C(=O)O.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.42
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.38
ARG1 P05089 1/20 0.38
ARG2 P78540 1/20 0.38
BLM P54132 2/20 0.37
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
EGFR P00533 1/20 0.34
CYP1A2 P05177 1/20 0.34
FYN P06241 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
APEX1 P27695 1/20 0.34

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
SCHEMBL371079 0.98
SCHEMBL503376 0.98
SCHEMBL503383 0.98
Water SCHEMBL7508586 0.95 GGT1 (0.42) GGT1ALDH1A1TSHRARG1ARG2
Water SCHEMBL27459592 0.95 GGT1 (0.42) GGT1ALDH1A1TSHRARG1ARG2
Hydrochloric Acid SCHEMBL74583 0.95 GGT1 (0.42) GGT1ALDH1A1TSHRARG1ARG2
Water SCHEMBL18669981 0.86 TSHR (0.39) GGT1ALDH1A1TSHRARG1ARG2
SCHEMBL5488304 0.77 HTT (0.33) GGT1ALDH1A1TSHRHTT
Bicarbonate SCHEMBL8039493 0.76 HTT (0.38) GGT1ALDH1A1TSHRBLMHTT
SCHEMBL2481158 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8105637-B2 health food and drink contains the pure plant extract, is for patients with abnormality in cerebral blood flow and metabolism of brain disorder; nutraceuticals; free of proanthocyanidins SHIMADA SHINJI (JP) 2012-01-31 US disclosed
US-20080254126-A1 Composition comprising nanoparticle ginkgo biloba extract with the effect of brain function activation SHIMADA SHINJI 2008-10-16 US disclosed