SCHEMBL24084064

SCHEMBL24084064

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
CTSK P43235 5/20 0.48
CTSS P25774 4/20 0.48
PPARA Q07869 2/20 0.46
SYK P43405 1/20 0.46
KLK7 P49862 1/20 0.45
KLK5 Q9Y337 1/20 0.45
TLR2 O60603 1/20 0.45
TLR1 Q15399 1/20 0.45
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
CACNA1F O60840 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44

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
SCHEMBL22300883 0.94 CTSS (0.53) MEN1ALDH1A1HPGDKMT2ACTSK
SCHEMBL17347936 0.94 CTSS (0.53) MEN1ALDH1A1HPGDKMT2ACTSK
SCHEMBL13567913 0.92 PPARA (0.53) CTSKCTSSPPARASYKKLK7
SCHEMBL22300308 0.90 ACE (0.52) MEN1ALDH1A1HPGDKMT2ACTSK
SCHEMBL23463314 0.90 ACE (0.52) MEN1ALDH1A1HPGDKMT2ACTSK
SCHEMBL1517760 0.90 PPARA (0.55) MEN1ALDH1A1HPGDKMT2ACTSK
SCHEMBL3817109 0.90 PPARA (0.55) MEN1ALDH1A1HPGDKMT2ACTSK
SCHEMBL23335315 0.89 KLK7 (0.54) MEN1ALDH1A1HPGDKMT2ACTSK
SCHEMBL23335508 0.89 KLK7 (0.54) MEN1ALDH1A1HPGDKMT2ACTSK
SCHEMBL8432480 0.89 CTSS (0.48) MEN1ALDH1A1HPGDKMT2ACTSK

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
EP-3919080-A1 POLYETHYLENE GLYCOL CONJUGATE MEDICAMENT, PREPARATION METHOD THERFOR AND USE THEREOF Chongqing Upgra Biotechnology Co., Ltd. (CN) 2021-12-08 EP disclosed