SCHEMBL28525631

SCHEMBL28525631

COC(=O)C(CCC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
SYK P43405 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PPARA Q07869 1/20 0.40
KLK7 P49862 1/20 0.40
KLK5 Q9Y337 1/20 0.40
MBOAT4 Q96T53 1/20 0.40

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
SCHEMBL28531197 0.95 ALDH1A1 (0.49) LTA4HSYKALDH1A1MAPK1L3MBTL1
SCHEMBL4536087 0.91 ALDH1A1 (0.47) LTA4HSYKALDH1A1MAPK1L3MBTL1
SCHEMBL4536083 0.91 ALDH1A1 (0.47) LTA4HSYKALDH1A1MAPK1L3MBTL1
SCHEMBL18953153 0.91 ALDH1A1 (0.47) LTA4HSYKALDH1A1MAPK1L3MBTL1
SCHEMBL28276416 0.88 LTA4H (0.44) LTA4HSYKALDH1A1ITGA4ITGB7
SCHEMBL20943303 0.87 ALDH1A1 (0.46) LTA4HSYKALDH1A1MAPK1L3MBTL1
SCHEMBL30280767 0.86 ALDH1A1 (0.51) LTA4HALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL22465650 0.86 ALDH1A1 (0.45) LTA4HSYKALDH1A1MAPK1L3MBTL1
SCHEMBL20943366 0.85 ALDH1A1 (0.44) LTA4HSYKALDH1A1MAPK1L3MBTL1
SCHEMBL20943409 0.85 ALDH1A1 (0.44) LTA4HSYKALDH1A1MAPK1L3MBTL1

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