SCHEMBL28678577

SCHEMBL28678577

N#CCCCC(C#N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 3/20 0.42
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC1A3 P43003 2/20 0.31
SLC1A1 P43005 2/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
Ethylene SCHEMBL29091063 0.96 SLC1A2 (0.40) SLC1A2TSHRMEN1KMT2A
SCHEMBL9487367 0.88 SLC1A2 (0.48) SLC1A2TSHRMEN1KMT2ASLC1A3
SCHEMBL11408179 0.86 GPR84 (0.37) SLC1A2
SCHEMBL25173898 0.80 LMNA (0.42) SLC1A2TSHRKMT2ASLC1A3SLC1A1
SCHEMBL316535 0.80 CA2 (0.48) SLC1A2TSHRSLC1A3SLC1A1TDP1
SCHEMBL10012340 0.79 SLC1A2 (0.38) SLC1A2TSHRMEN1KMT2A
SCHEMBL5435714 0.78 GPR84 (0.50) SLC1A2SLC1A1
SCHEMBL28708554 0.78 MCL1 (0.34) SLC1A2TSHR
SCHEMBL1403664 0.78 CYP2C19 (0.33) TSHRMEN1KMT2A
SCHEMBL1890854 0.77 GPR84 (0.53) SLC1A2SLC1A1

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-114504655-B Drug-loaded microsphere for targeted inhibition of TNBC cell activity, preparation method and application thereof 川北医学院附属医院 2023-05-09 CN claimed
CN-113912794-A Itaconate bio-based elastomer with controllable sequence structure and adjustable cross-linking point distribution and preparation method thereof 湖北大学 2022-01-11 CN claimed
CN-113912794-A Itaconate bio-based elastomer with controllable sequence structure and adjustable cross-linking point distribution and preparation method thereof 湖北大学 2022-01-11 CN disclosed