SCHEMBL23463536

SCHEMBL23463536

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
ACE P12821 1/20 0.45
LTA4H P09960 8/20 0.44
MME P08473 1/20 0.43
ANPEP P15144 1/20 0.43
PTPN1 P18031 3/20 0.43
CTSL P07711 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA9 Q16790 1/20 0.42
CCKBR P32239 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
SCHEMBL22300838 0.98 MEN1 (0.47) MEN1ALDH1A1HPGDKMT2AACE
SCHEMBL17347888 0.95 ALDH1A1 (0.52) MEN1ALDH1A1HPGDKMT2ALTA4H
SCHEMBL22301197 0.93 ALDH1A1 (0.51) MEN1ALDH1A1HPGDKMT2AACE
SCHEMBL17344012 0.93 ALDH1A1 (0.51) MEN1ALDH1A1HPGDKMT2AACE
SCHEMBL22193431 0.93 KMT2A (0.51) MEN1ALDH1A1HPGDKMT2AACE
SCHEMBL24235783 0.93 KMT2A (0.51) MEN1ALDH1A1HPGDKMT2AACE
SCHEMBL24235721 0.92 LTA4H (0.47) MEN1ALDH1A1HPGDKMT2AACE
SCHEMBL24235613 0.91 MEN1 (0.48) MEN1ALDH1A1HPGDKMT2AACE
SCHEMBL26632693 0.91 MEN1 (0.47) MEN1ALDH1A1HPGDKMT2AACE
SCHEMBL22300839 0.90 MEN1 (0.46) MEN1ALDH1A1HPGDKMT2AACE

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