SCHEMBL23463370

SCHEMBL23463370

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CTSB P07858 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ ACE P12821 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ CASP9 P55211 1/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ MME P08473 1/20 0.38
▸ ANPEP P15144 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
SCHEMBL23447185 0.96 KMT2A (0.45) ALDH1A1MEN1HPGDKMT2ACTSB
SCHEMBL23446366 0.93 KMT2A (0.46) ALDH1A1MEN1HPGDKMT2ACTSB
SCHEMBL22300310 0.91 ALDH1A1 (0.49) ALDH1A1MEN1HPGDKMT2ACTSB
SCHEMBL24235590 0.90 KMT2A (0.49) ALDH1A1MEN1HPGDKMT2APOLB
SCHEMBL23445990 0.90 KMT2A (0.45) ALDH1A1MEN1HPGDKMT2ACTSB
SCHEMBL23447603 0.88 MEN1 (0.43) ALDH1A1MEN1HPGDKMT2ACTSB
SCHEMBL23475284 0.88 MEN1 (0.53) ALDH1A1MEN1HPGDKMT2ACTSB
SCHEMBL22300839 0.86 MEN1 (0.46) ALDH1A1MEN1HPGDKMT2APOLB
SCHEMBL23447299 0.83 MEN1 (0.44) ALDH1A1MEN1HPGDKMT2AMMP9
SCHEMBL13996825 0.82 ALDH1A1 (0.48) ALDH1A1MEN1HPGDKMT2ACTSB

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-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
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