SCHEMBL23744198

SCHEMBL23744198

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.41
SLC7A5 Q01650 1/20 0.36
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
Carbamic Acid SCHEMBL6526329 0.77 ALDH1A1 (0.36) TP53ALDH1A1SLC7A5
SCHEMBL1923464 0.75 TP53 (0.42) TP53ALDH1A1SLC7A5
SCHEMBL1923463 0.75 TP53 (0.42) TP53ALDH1A1SLC7A5
SCHEMBL27980971 0.72
SCHEMBL2441111 0.72
SCHEMBL2441109 0.72
SCHEMBL3939728 0.72
SCHEMBL7525148 0.72 TP53 (0.36) TP53SLC7A5
SCHEMBL7525154 0.72 TP53 (0.36) TP53SLC7A5
SCHEMBL14376677 0.70

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
WO-2021158739-A1 DRUG-LOADED AMINO ACID-BASED POLY(ESTER UREA) FILMS FOR CONTROLLED LOCAL RELEASE OF NON-OPIOID ANALGESIC COMPOUNDS THE UNIVERSITY OF AKRON (US) 2021-08-12 WO disclosed