SCHEMBL31360754

SCHEMBL31360754

C#CCN[C@@H](C)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
CTSL P07711 3/20 0.45
PTPN1 P18031 7/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
MMP9 P14780 1/20 0.39
CTSS P25774 3/20 0.39
CTSB P07858 2/20 0.39
CTSK P43235 2/20 0.39
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
LNPEP Q9UIQ6 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL31360749 0.94 CTSL (0.45) MEN1ALDH1A1HPGDKMT2ACTSL
SCHEMBL31360483 0.85 MEN1 (0.46) MEN1ALDH1A1HPGDKMT2ACTSL
SCHEMBL9437417 0.83 CTSL (0.53) MEN1ALDH1A1HPGDKMT2ACTSL
SCHEMBL20583780 0.83 CTSL (0.53) MEN1ALDH1A1HPGDKMT2ACTSL
Hydrochloric Acid SCHEMBL7779525 0.82 CTSL (0.52) MEN1ALDH1A1HPGDKMT2ACTSL
Hydrochloric Acid SCHEMBL11290000 0.82 CTSL (0.52) MEN1ALDH1A1HPGDKMT2ACTSL
SCHEMBL11283383 0.81 CTSL (0.51) MEN1ALDH1A1HPGDKMT2ACTSL
Trifluoroacetic Acid SCHEMBL31360487 0.81 CTSL (0.45) MEN1ALDH1A1HPGDKMT2ACTSL
Hydrochloric Acid SCHEMBL11599047 0.81 CTSL (0.50) MEN1ALDH1A1HPGDKMT2ACTSL
SCHEMBL25384406 0.80 REN (0.49) MEN1ALDH1A1HPGDKMT2ACTSL

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
WO-2025027624-A1 CYCLIC GLYCOLIPOPEPTIDE VACCINE ADJUVANTS AND THE PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860) (IN) 2025-02-06 WO disclosed