SCHEMBL23447299

SCHEMBL23447299

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PSMB5 P28074 1/20 0.41
▸ ACE P12821 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PTPN1 P18031 3/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ CTSK P43235 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ KLK7 P49862 1/20 0.38
▸ KLK5 Q9Y337 1/20 0.38
▸ REN P00797 1/20 0.38

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
SCHEMBL23447293 0.95 MEN1 (0.48) MEN1ALDH1A1HPGDKMT2APSMB5
SCHEMBL24235721 0.88 LTA4H (0.47) MEN1ALDH1A1HPGDKMT2APSMB5
SCHEMBL23463314 0.88 ACE (0.52) MEN1ALDH1A1HPGDKMT2APSMB5
SCHEMBL22300308 0.88 ACE (0.52) MEN1ALDH1A1HPGDKMT2APSMB5
SCHEMBL23447220 0.88 ACE (0.49) MEN1ALDH1A1HPGDKMT2AACE
SCHEMBL24235765 0.86 CTSS (0.44) MEN1ALDH1A1HPGDKMT2APSMB5
SCHEMBL25735511 0.86 MAPT (0.39) MEN1ALDH1A1HPGDKMT2APSMB5
SCHEMBL30776077 0.84 POLB (0.49) MEN1ALDH1A1HPGDKMT2AACE
SCHEMBL24235725 0.84 MEN1 (0.49) MEN1ALDH1A1HPGDKMT2APSMB5
SCHEMBL24235567 0.84 LTA4H (0.49) MEN1ALDH1A1HPGDKMT2APSMB5

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-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
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