SCHEMBL30621982

SCHEMBL30621982

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPT P10636 1/20 0.54
PTGS1 P23219 1/20 0.54
SLC7A5 Q01650 2/20 0.36
GRIK1 P39086 2/20 0.32
ENPEP Q07075 3/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
FFAR3 O14843 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 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
SCHEMBL498110 0.81 ALDH1A1 (0.56) ALDH1A1MAPTPTGS1SLC7A5GRIK1
SCHEMBL26076126 0.81 ALDH1A1 (0.56) ALDH1A1MAPTPTGS1SLC7A5GRIK1
SCHEMBL498111 0.81 ALDH1A1 (0.56) ALDH1A1MAPTPTGS1SLC7A5GRIK1
SCHEMBL5296691 0.80 ALDH1A1 (0.50) ALDH1A1MAPTPTGS1SLC7A5GRIK1
SCHEMBL2783864 0.79 MAPT (0.54) ALDH1A1MAPTPTGS1SLC7A5GRIK1
SCHEMBL30621981 0.77 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1SLC7A5GRIK1
Acetic Acid SCHEMBL28270661 0.76 ALDH1A1 (0.56) ALDH1A1MAPTPTGS1SLC7A5GRIK1
SCHEMBL6672007 0.75 ALDH1A1 (0.62) ALDH1A1MAPTPTGS1SLC7A5GRIK1
SCHEMBL7396758 0.75 ALDH1A1 (0.62) ALDH1A1MAPTPTGS1SLC7A5GRIK1
SCHEMBL6433 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120028551-A Construction method and application of diagnosis marker combination and ovarian endometriosis prediction model 南京市妇幼保健院 2025-05-23 CN claimed
CN-119390755-A Carboline hexahydropyrazine-1, 4-diketone-3-acetyl-Val-Val, preparation and application thereof 首都医科大学 2025-02-07 CN claimed
CN-120028551-A Construction method and application of diagnosis marker combination and ovarian endometriosis prediction model 南京市妇幼保健院 2025-05-23 CN disclosed
CN-119390755-A Carboline hexahydropyrazine-1, 4-diketone-3-acetyl-Val-Val, preparation and application thereof 首都医科大学 2025-02-07 CN disclosed
CN-116903622-A Amino acid modified tetracyclic compound capable of selectively inhibiting PAF, preparation and application thereof 首都医科大学 2023-10-20 CN disclosed