SCHEMBL23475284

SCHEMBL23475284

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ CTSK P43235 1/20 0.45
▸ CCKBR P32239 2/20 0.44
▸ CTSL P07711 2/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSB P07858 2/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MME P08473 1/20 0.41
▸ ANPEP P15144 1/20 0.41
▸ BCHE P06276 2/20 0.40
▸ ACHE P22303 2/20 0.40
▸ CACNA1F O60840 1/20 0.40
▸ CACNA1D Q01668 1/20 0.40
▸ CACNA1S Q13698 1/20 0.40
▸ CACNA1C Q13936 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40

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
SCHEMBL24235590 0.96 KMT2A (0.49) MEN1ALDH1A1HPGDKMT2ACTSK
SCHEMBL22300310 0.94 ALDH1A1 (0.49) MEN1ALDH1A1HPGDKMT2ACCKBR
SCHEMBL23446366 0.90 KMT2A (0.46) MEN1ALDH1A1HPGDKMT2ACCKBR
SCHEMBL23463370 0.88 ALDH1A1 (0.45) MEN1ALDH1A1HPGDKMT2ACTSB
SCHEMBL28222599 0.86 ALDH1A1 (0.48) MEN1ALDH1A1HPGDKMT2ACCKBR
SCHEMBL13996825 0.86 ALDH1A1 (0.48) MEN1ALDH1A1HPGDKMT2ACCKBR
SCHEMBL23447185 0.85 KMT2A (0.45) MEN1ALDH1A1HPGDKMT2ACCKBR
SCHEMBL23447603 0.85 MEN1 (0.43) MEN1ALDH1A1HPGDKMT2ACCKBR
SCHEMBL26047547 0.81 ALDH1A1 (0.49) MEN1ALDH1A1HPGDKMT2ACCKBR
SCHEMBL27312654 0.81 FOLH1 (0.49) MEN1ALDH1A1HPGDKMT2ACCKBR

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-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
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