SCHEMBL28709191

SCHEMBL28709191

CC(CC(C)NC(=O)O)NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
FOLH1 Q04609 2/20 0.39
NAALAD2 Q9Y3Q0 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
RNPEP Q9H4A4 1/20 0.35
SLC7A5 Q01650 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MAPT P10636 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL6728949 0.89 ALDH1A1 (0.46) CYP2D6CYP2C19FOLH1NAALAD2ALDH1A1
SCHEMBL21462562 0.87 CYP2D6 (0.37) CYP2D6CYP2C19FOLH1NAALAD2ALDH1A1
SCHEMBL21462551 0.87 CYP2D6 (0.37) CYP2D6CYP2C19FOLH1NAALAD2ALDH1A1
SCHEMBL21462561 0.87 CYP2D6 (0.37) CYP2D6CYP2C19FOLH1NAALAD2ALDH1A1
SCHEMBL15201194 0.87 CYP2D6 (0.37) CYP2D6CYP2C19FOLH1NAALAD2ALDH1A1
SCHEMBL25275077 0.87 CYP2D6 (0.37) CYP2D6CYP2C19FOLH1NAALAD2ALDH1A1
SCHEMBL22310690 0.85 CYP2D6 (0.36) CYP2D6CYP2C19FOLH1NAALAD2ALDH1A1
SCHEMBL25354729 0.85 GABRP (0.39) CYP2D6CYP2C19FOLH1NAALAD2ALDH1A1
SCHEMBL25353650 0.84 KDM4E (0.36) CYP2D6CYP2C19FOLH1NAALAD2ALDH1A1
SCHEMBL15270313 0.83 TRPA1 (0.36) CYP2D6CYP2C19FOLH1NAALAD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114269794-B Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2023-03-28 CN disclosed
CN-114269794-A Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2022-04-01 CN disclosed