SCHEMBL23445990

SCHEMBL23445990

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ACE P12821 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.42
▸ CCKBR P32239 2/20 0.42
▸ CTSB P07858 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ TACR1 P25103 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MBTPS1 Q14703 1/20 0.39

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 0.92 KMT2A (0.45) KMT2AMEN1ALDH1A1HPGDACE
SCHEMBL23463370 0.90 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1HPGDACE
SCHEMBL24235586 0.89 MEN1 (0.53) KMT2AMEN1ALDH1A1HPGDTAAR1
SCHEMBL23446366 0.88 KMT2A (0.46) KMT2AMEN1ALDH1A1HPGDACE
SCHEMBL23446341 0.88 KMT2A (0.47) KMT2AMEN1ALDH1A1HPGDACE
SCHEMBL24235590 0.85 KMT2A (0.49) KMT2AMEN1ALDH1A1HPGDACE
SCHEMBL28222599 0.84 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1HPGDACE
SCHEMBL13996825 0.84 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1HPGDACE
SCHEMBL23447603 0.83 MEN1 (0.43) KMT2AMEN1ALDH1A1HPGDACE
SCHEMBL22300310 0.83 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1HPGDACE

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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