SCHEMBL28617007

SCHEMBL28617007

CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.61
CTSS P25774 2/20 0.55
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
CTSK P43235 1/20 0.55
PSEN1 P49768 1/20 0.54
PSEN2 P49810 1/20 0.54
APH1B Q8WW43 1/20 0.54
NCSTN Q92542 1/20 0.54
APH1A Q96BI3 1/20 0.54
PSENEN Q9NZ42 1/20 0.54
MAPK1 P28482 1/20 0.52
PSMB8 P28062 1/20 0.52
PSMB9 P28065 1/20 0.52
PSMB5 P28074 1/20 0.52
AKT1 P31749 1/20 0.52
PAX8 Q06710 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PTPN1 P18031 1/20 0.51
ACE P12821 1/20 0.51

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
SCHEMBL20669327 1.00 REN (0.61) RENCTSSCTSLCTSBCTSK
SCHEMBL28617005 1.00 REN (0.61) RENCTSSCTSLCTSBCTSK
SCHEMBL22962329 1.00 REN (0.61) RENCTSSCTSLCTSBCTSK
SCHEMBL20516080 1.00 REN (0.61) RENCTSSCTSLCTSBCTSK
SCHEMBL22962260 0.99 REN (0.61) RENCTSSCTSLCTSBCTSK
SCHEMBL12242945 0.97 REN (0.62) RENCTSSCTSLCTSBCTSK
SCHEMBL22962044 0.96 REN (0.57) RENCTSSCTSLCTSBCTSK
SCHEMBL22962084 0.95 REN (0.56) RENCTSSCTSLCTSBCTSK
SCHEMBL28728957 0.95 REN (0.56) RENCTSSCTSLCTSBCTSK
SCHEMBL29470205 0.95 REN (0.56) RENCTSSCTSLCTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109280076-B Peptide amide compound, preparation method and medical application thereof 四川海思科制药有限公司 2022-04-05 CN disclosed
CN-114127086-A Deuterated peptide amide compound, preparation method thereof and application thereof in medicine 四川海思科制药有限公司 2022-03-01 CN disclosed
CN-112552374-A Preparation method of peptide amide compound and intermediate thereof 四川海思科制药有限公司 2021-03-26 CN disclosed
CN-112442106-A Solid form of polypeptide compound and application thereof in medicine 四川海思科制药有限公司 2021-03-05 CN disclosed