SCHEMBL25735511

SCHEMBL25735511

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 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ ACE P12821 2/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ KLK7 P49862 1/20 0.36
▸ KLK5 Q9Y337 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ POLB P06746 3/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL23447299 0.86 MEN1 (0.44) MAPTXBP1NPSR1TDP1MEN1
SCHEMBL30776077 0.81 POLB (0.49) MAPTXBP1NPSR1TDP1MEN1
SCHEMBL23447220 0.81 ACE (0.49) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL23447293 0.81 MEN1 (0.48) MAPTXBP1NPSR1TDP1MEN1
SCHEMBL28931267 0.79 KMT2A (0.50) MAPTXBP1NPSR1TDP1MEN1
SCHEMBL28931266 0.79 KMT2A (0.50) MAPTXBP1NPSR1TDP1MEN1
SCHEMBL14450593 0.77 MEN1 (0.48) MAPTXBP1NPSR1TDP1MEN1
SCHEMBL19564830 0.77 MEN1 (0.45) MEN1ALDH1A1HPGDKMT2ALTA4H
SCHEMBL12145038 0.77 MEN1 (0.45) MEN1ALDH1A1HPGDKMT2ALTA4H
SCHEMBL24945920 0.76 ACE (0.55) ACEKLK7KLK5SYK

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-4190360-A1 POLYETHYLENE GLYCOL CONJUGATE DRUG SYNERGIST, PREPARATION METHOD THEREFOR, AND USE THEREOF Chongqing Upgra Biotechnology Co., Ltd. (CN) 2023-06-07 — — EP disclosed
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