SCHEMBL28875836

SCHEMBL28875836

C=CC(=O)NNC(CC(N)=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ECE1 P42892 2/20 0.37
ITGB2 P05107 2/20 0.36
ICAM1 P05362 2/20 0.36
ITGAL P20701 2/20 0.36
CA2 P00918 4/20 0.34
ALDH1A1 P00352 3/20 0.34
CA1 P00915 3/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TGFBR1 P36897 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL28875835 1.00 MEN1 (0.39) MEN1KMT2AECE1ITGB2ICAM1
SCHEMBL29013593 0.85 FNTA (0.38) CA2ALDH1A1TSHRMAPK1TDP1
SCHEMBL29013590 0.85 FNTA (0.38) CA2ALDH1A1TSHRMAPK1TDP1
SCHEMBL28875868 0.83 KMT2A (0.40) KMT2ACA2ALDH1A1CA1TSHR
SCHEMBL28875871 0.83 KMT2A (0.40) KMT2ACA2ALDH1A1CA1TSHR
SCHEMBL3437894 0.81 ECE1 (0.46) MEN1KMT2AECE1ITGB2ICAM1
SCHEMBL8186324 0.81 ECE1 (0.46) MEN1KMT2AECE1ITGB2ICAM1
SCHEMBL31139984 0.79 TGFBR1 (0.40) ALDH1A1TSHRMAPK1TDP1TGFBR1
SCHEMBL29742771 0.78 ECE1 (0.47) MEN1KMT2AECE1ITGB2ICAM1
SCHEMBL4289576 0.78 KDM4E (0.42) CA2ALDH1A1CA1TSHRMAPK1

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
CN-115135307-A Carrier for cell delivery 株式会社ITO 2022-09-30 CN disclosed