SCHEMBL24175011

SCHEMBL24175011

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ KCNA5 P22460 2/20 0.44
▸ LAP3 P28838 2/20 0.42
▸ ANPEP P15144 1/20 0.42
▸ RNPEP Q9H4A4 1/20 0.42
▸ DNPEP Q9ULA0 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ CTSK P43235 2/20 0.41
▸ SLC15A1 P46059 1/20 0.41

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
SCHEMBL4890742 0.84 ALDH1A1 (0.58) ALDH1A1MEN1HPGDKMT2AL3MBTL1
SCHEMBL27847367 0.81 ALDH1A1 (0.50) ALDH1A1MEN1HPGDKMT2AL3MBTL1
SCHEMBL24174618 0.80 LTA4H (0.49) ALDH1A1MEN1HPGDKMT2AL3MBTL1
SCHEMBL8989009 0.80 ALDH1A1 (0.61) ALDH1A1MEN1HPGDKMT2AL3MBTL1
SCHEMBL23901605 0.79 ALDH1A1 (0.54) ALDH1A1MEN1HPGDKMT2AL3MBTL1
SCHEMBL4955877 0.79 ALDH1A1 (0.54) ALDH1A1MEN1HPGDKMT2AL3MBTL1
SCHEMBL19007858 0.77 ALDH1A1 (0.53) ALDH1A1MEN1HPGDKMT2AL3MBTL1
SCHEMBL16344760 0.77 ALDH1A1 (0.53) ALDH1A1MEN1HPGDKMT2AL3MBTL1
SCHEMBL28377873 0.77 ALDH1A1 (0.53) ALDH1A1MEN1HPGDKMT2AL3MBTL1
SCHEMBL12990296 0.77 ALDH1A1 (0.59) ALDH1A1MEN1HPGDKMT2AL3MBTL1

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-2022001710-A1 INTERMEDIATE FOR PREPARING ANTIBODY-DRUG CONJUGATE (ADC), PREPARATION METHOD THEREFOR, AND USE THEREOF 达石药业(广东)有限公司 2022-01-06 — — WO disclosed
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