SCHEMBL28876338

SCHEMBL28876338

COCCOC(=O)[C@H](Cc1ccccc1)NC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CTSL P07711 2/20 0.49
ITGA4 P13612 4/20 0.48
ITGB7 P26010 4/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.44

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
SCHEMBL29069436 1.00 RAB9A (0.49) RAB9ANPC1TP53SMN1; SMN2CTSL
SCHEMBL25477166 0.85 SMN1; SMN2 (0.55) RAB9ANPC1TP53SMN1; SMN2CTSL
SCHEMBL1219646 0.84 MEN1 (0.53) RAB9ANPC1TP53SMN1; SMN2CTSL
SCHEMBL1219647 0.84 MEN1 (0.53) RAB9ANPC1TP53SMN1; SMN2CTSL
SCHEMBL1221477 0.84 ITGA4 (0.60) RAB9ANPC1TP53SMN1; SMN2CTSL
SCHEMBL1221478 0.84 ITGA4 (0.60) RAB9ANPC1TP53SMN1; SMN2CTSL
SCHEMBL8133358 0.84 MEN1 (0.51) RAB9ANPC1TP53SMN1; SMN2CTSL
SCHEMBL25922264 0.84 PPARG (0.56) RAB9ACTSLMEN1KMT2AGAA
SCHEMBL19867063 0.82 ITGA4 (0.51) CTSLITGA4ITGB7MEN1KMT2A
SCHEMBL1309029 0.81 GAA (0.50) RAB9AMEN1KMT2AGAA

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
CN-118648609-A Application of 2-amino-3- (4-hydroxyphenyl) butyric acid as phytotoxicity relieving agent 南京农业大学 2024-09-17 CN disclosed
CN-114236025-B Method for determining 43 amino acids without ion pair reagent and non-derivatization 浙江博圣生物技术股份有限公司 2023-09-01 CN disclosed
CN-114236025-A Liquid phase mass spectrum method for simultaneously determining 43 amino acids without using ion pair reagent and non-derivatization 浙江博圣生物技术股份有限公司 2022-03-25 CN disclosed