SCHEMBL28530870

SCHEMBL28530870

CC(C)(C)OC(=O)C(CCC(=O)OCc1ccccc1)n1cnc(CN(Cc2ccccc2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
BACE1 P56817 4/20 0.38
NPC1 O15118 2/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
LTA4H P09960 1/20 0.35
HTR2C P28335 2/20 0.34
SLC6A4 P31645 2/20 0.34
POLB P06746 2/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 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
SCHEMBL28530789 0.83 MEN1 (0.39) NPC1TP53RAB9ALTA4HPOLB
SCHEMBL28531684 0.74 HDAC3 (0.47) HDAC3HDAC1HDAC2NCOR2BACE1
SCHEMBL24602777 0.71 ALDH1A1 (0.47) LTA4HPOLBGAAKMT2ALMNA
SCHEMBL8226793 0.71 ALDH1A1 (0.47) LTA4HPOLBGAAKMT2ALMNA
SCHEMBL13007477 0.70 ALDH1A1 (0.42) LTA4HPOLBGAAKMT2ALMNA
SCHEMBL28531197 0.69 ALDH1A1 (0.49) LTA4HPOLBGAAKMT2ALMNA
SCHEMBL20089220 0.69 L3MBTL1 (0.46) HDAC3HDAC1HDAC2NCOR2BACE1
Hydrochloric Acid SCHEMBL28536680 0.69 CPB2 (0.32) LTA4H
SCHEMBL4536083 0.68 ALDH1A1 (0.47) RAB9ALTA4HPOLBGAAKMT2A
SCHEMBL18953153 0.68 ALDH1A1 (0.47) RAB9ALTA4HPOLBGAAKMT2A

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-113150068-B Peptide compound, application thereof and composition containing peptide compound 尚华医药科技(江西)有限公司 2023-04-04 CN disclosed
CN-113150068-A Peptide compound, application thereof and composition containing peptide compound 尚华医药科技(江西)有限公司 2021-07-23 CN disclosed
CN-109517039-B Peptide compound, application thereof and composition containing peptide compound 尚华医药科技(江西)有限公司 2021-03-19 CN disclosed