SCHEMBL28320795

SCHEMBL28320795

CCCCO[C@H](CC(=O)O)C[N+](C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.60
MAPT P10636 5/20 0.59
MAPK1 P28482 4/20 0.59
LMNA P02545 4/20 0.59
GMNN O75496 3/20 0.59
NPSR1 Q6W5P4 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
TP53 P04637 3/20 0.59
TSHR P16473 3/20 0.59
HSP90AA1 P07900 2/20 0.59
BLM P54132 2/20 0.59
NR1H4 Q96RI1 2/20 0.59
CYP2C9 P11712 2/20 0.59
HIF1A Q16665 2/20 0.59
GLA P06280 1/20 0.57
PMP22 Q01453 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.53
SLC25A20 O43772 3/20 0.43
CYP2D6 P10635 2/20 0.43

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
SCHEMBL27643142 0.93 MAPK1 (0.64) CYP1A2MAPTMAPK1LMNAGMNN
SCHEMBL28666910 0.93 MAPK1 (0.64) CYP1A2MAPTMAPK1LMNAGMNN
Hydrochloric Acid SCHEMBL9345508 0.93 MAPT (0.62) CYP1A2MAPTMAPK1LMNAGMNN
SCHEMBL28710263 0.93 MAPK1 (0.64) CYP1A2MAPTMAPK1LMNAGMNN
SCHEMBL28811437 0.93 MAPK1 (0.64) CYP1A2MAPTMAPK1LMNAGMNN
SCHEMBL25187656 0.93 MAPK1 (0.64) CYP1A2MAPTMAPK1LMNAGMNN
SCHEMBL27620618 0.93 MAPK1 (0.64) CYP1A2MAPTMAPK1LMNAGMNN
SCHEMBL28519362 0.93 MAPK1 (0.64) CYP1A2MAPTMAPK1LMNAGMNN
SCHEMBL22344765 0.93 MAPK1 (0.64) CYP1A2MAPTMAPK1LMNAGMNN
SCHEMBL27850775 0.93 MAPK1 (0.64) CYP1A2MAPTMAPK1LMNAGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118987033-A Platelet-derived biological agent, and preparation method and application thereof 西安交通大学医学院第一附属医院 2024-11-22 CN claimed
CN-113267555-B Method for classifying lysosomes by using metabolites of lysosomes as markers 中国科学技术大学 2022-12-30 CN claimed
CN-118987033-A Platelet-derived biological agent, and preparation method and application thereof 西安交通大学医学院第一附属医院 2024-11-22 CN disclosed
CN-118987033-A Platelet-derived biological agent, and preparation method and application thereof 西安交通大学医学院第一附属医院 2024-11-22 CN disclosed
CN-116298235-A Serum metabolism biomarker for diagnosing or monitoring breast cancer and screening method thereof 哈尔滨医科大学 2023-06-23 CN disclosed
CN-110402097-A Gastrointestinal tract detection method, device and system PROGENITY INC 2019-11-01 CN disclosed
CN-110381944-A Substances for the treatment of fatty liver related disorders 斯堪的比奥疗法有限公司 2019-10-25 CN disclosed
CN-110087530-A Gastrointestinal tract detection method, device and system 普罗根尼蒂公司 2019-08-02 CN disclosed