SCHEMBL28175486

SCHEMBL28175486

CC(C)(C)OC(=O)N(Cc1ccccc1)C(Cc1ccc(I)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AKT1 P31749 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
ACE P12821 1/20 0.38
FPR2 P25090 2/20 0.38

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
SCHEMBL1971865 1.00 ALDH1A1 (0.42) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL8472422 0.93 ALDH1A1 (0.48) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL8472423 0.93 ALDH1A1 (0.48) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL18359864 0.93 ALDH1A1 (0.48) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL8359320 0.89 HDAC3 (0.44) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL4564347 0.88 ALDH1A1 (0.42) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL4564346 0.88 ALDH1A1 (0.42) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL6140276 0.86 HDAC3 (0.34) HDAC3HDAC1HDAC2NCOR2ATM
SCHEMBL6539436 0.86 BACE1 (0.45) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL6140511 0.84 HDAC3 (0.35) L3MBTL1HDAC3HDAC1HDAC2NCOR2

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-115867137-A Medical devices and materials comprising biodegradable polyesters 埃米考特公司 2023-03-28 CN disclosed
CN-107233564-A The treatment of biomembrane 莱特克斯生物制药股份有限公司 2017-10-10 CN disclosed