SCHEMBL22300883

SCHEMBL22300883

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.53
CTSK P43235 4/20 0.53
PPARA Q07869 3/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
KLK7 P49862 1/20 0.49
KLK5 Q9Y337 1/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
PPARG P37231 2/20 0.48
SYK P43405 1/20 0.48
TLR2 O60603 1/20 0.48
TLR1 Q15399 1/20 0.48
ACE P12821 1/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
CACNA1F O60840 1/20 0.47
CACNA1D Q01668 1/20 0.47

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
SCHEMBL17347936 1.00 CTSS (0.53) CTSSCTSKPPARAMEN1ALDH1A1
SCHEMBL23463314 0.96 ACE (0.52) CTSSCTSKPPARAMEN1ALDH1A1
SCHEMBL22300308 0.96 ACE (0.52) CTSSCTSKPPARAMEN1ALDH1A1
SCHEMBL3817109 0.95 PPARA (0.55) CTSSCTSKPPARAMEN1ALDH1A1
SCHEMBL1517760 0.95 PPARA (0.55) CTSSCTSKPPARAMEN1ALDH1A1
SCHEMBL23335315 0.95 KLK7 (0.54) CTSSCTSKPPARAMEN1ALDH1A1
SCHEMBL23335508 0.95 KLK7 (0.54) CTSSCTSKPPARAMEN1ALDH1A1
SCHEMBL8432480 0.95 CTSS (0.48) CTSSCTSKPPARAMEN1ALDH1A1
SCHEMBL24084064 0.94 MEN1 (0.48) CTSSCTSKPPARAMEN1ALDH1A1
SCHEMBL8724186 0.94 CTSS (0.53) CTSSCTSKPPARAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022022360-A1 POLYETHYLENE GLYCOL CONJUGATE DRUG, AND PREPARATION METHOD THERFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2022-02-03 WO disclosed
EP-3919080-A1 POLYETHYLENE GLYCOL CONJUGATE MEDICAMENT, PREPARATION METHOD THERFOR AND USE THEREOF Chongqing Upgra Biotechnology Co., Ltd. (CN) 2021-12-08 EP disclosed
WO-2021109351-A1 POLYETHYLENE GLYCOL CONJUGATE DRUG, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 重庆阿普格雷生物科技有限公司 2021-06-10 WO disclosed
WO-2021103342-A1 POLYETHYLENE GLYCOL CONJUGATED DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2021-06-03 WO disclosed
WO-2021104120-A1 POLYETHYLENE GLYCOL CONJUGATE MEDICAMENT, PREPARATION METHOD THERFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2021-06-03 WO disclosed
WO-2020155497-A1 POLYETHYLENE GLYCOL CONJUGATE MEDICAMENT, PREPARATION METHOD THERFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2020-08-06 WO disclosed