SCHEMBL28880989

SCHEMBL28880989

C[C@@H](O)[C@@](N)(O)C(=O)O.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
TP53 P04637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
SLC7A5 Q01650 1/20 0.32
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
TET2 Q6N021 1/20 0.30
CPT2 P23786 1/20 0.30
ACLY P53396 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
SCHEMBL849765 0.97
SCHEMBL15636111 0.97
SCHEMBL6265677 0.97
Phosphoric Acid SCHEMBL28881934 0.87 CYP1A2 (0.36) CYP2D6CYP1A2TP53ALDH1A1TSHR
SCHEMBL3059067 0.77
SCHEMBL1237678 0.77
SCHEMBL11971581 0.76 TP53 (0.36) CYP2D6CYP1A2TP53ALDH1A1TSHR
SCHEMBL8168353 0.74 CYP1A2 (0.41) CYP2D6CYP1A2TP53ALDH1A1TSHR
SCHEMBL22009126 0.74 CYP1A2 (0.41) CYP2D6CYP1A2TP53ALDH1A1TSHR
SCHEMBL22009188 0.74 CYP1A2 (0.41) CYP2D6CYP1A2TP53ALDH1A1TSHR

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
CN-108239664-B Process for preparing 4-hydroxy-L-threonine 深圳瑞德林生物技术有限公司 2020-01-03 CN disclosed