SCHEMBL29285206

SCHEMBL29285206

CC=CC(=O)NC(CS)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
THRB P10828 1/20 0.57
ALOX15 P16050 1/20 0.57
NFKB1 P19838 1/20 0.57
PTGS2 P35354 1/20 0.57
THPO P40225 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ACE P12821 1/20 0.52
FOLH1 Q04609 3/20 0.44
CA2 P00918 5/20 0.36
CA1 P00915 3/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL29285204 1.00 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29285207 0.98 KDM4E (0.55) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL31038388 0.98 KDM4E (0.55) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6687079 0.87 KDM4E (0.52) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL28459310 0.82 POLB (0.38) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL12417755 0.81 NOS2 (0.40) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL28839062 0.81 FNTA (0.48) MAPTCA2CA1GAAFNTA
SCHEMBL8269523 0.81 FNTA (0.48) MAPTCA2CA1GAAFNTA
SCHEMBL20239706 0.81 FNTA (0.48) MAPTCA2CA1GAAFNTA
SCHEMBL4305909 0.80 KDM4E (0.55) KDM4EMAPTTHRBALOX15NFKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271219-A Novel zwitterionic modified PET film and preparation method thereof 南京师范大学 2024-07-02 CN claimed
CN-118271219-A Novel zwitterionic modified PET film and preparation method thereof 南京师范大学 2024-07-02 CN disclosed