SCHEMBL29084359

SCHEMBL29084359

CC(C)(C)OC(=O)N([C@H](CC(N)=O)C(=O)O)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
KIF11 P52732 5/20 0.35
APP P05067 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MMP13 P45452 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SLC7A5 Q01650 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
SLC1A5 Q15758 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL1486196 1.00 MAPT (0.36) MAPTKMT2ACYP2C19HIF1AKIF11
SCHEMBL29084360 1.00 MAPT (0.36) MAPTKMT2ACYP2C19HIF1AKIF11
SCHEMBL1486153 0.88 KMT2A (0.35) MAPTKMT2ACYP2C19HIF1AKIF11
SCHEMBL28541775 0.88 KMT2A (0.35) MAPTKMT2ACYP2C19HIF1AKIF11
SCHEMBL7993292 0.84 CYP2C19 (0.37) CYP2C19HIF1AKIF11MMP13L3MBTL1
SCHEMBL7993296 0.84 CYP2C19 (0.37) CYP2C19HIF1AKIF11MMP13L3MBTL1
SCHEMBL7749261 0.82 MAPT (0.36) MAPTKMT2ACYP2C19HIF1AKIF11
SCHEMBL28492725 0.81 MEN1 (0.31) KMT2A
SCHEMBL28492727 0.81 MEN1 (0.31) KMT2A
SCHEMBL5967875 0.77 L3MBTL1 (0.45) KMT2AAPPL3MBTL1SLC7A5POLB

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
CN-116829523-A Phenol derivative, crystal form and preparation method thereof 天地恒一制药股份有限公司 2023-09-29 CN disclosed