SCHEMBL29285205

SCHEMBL29285205

C=C(C)C(=O)NC(CS)C(=O)O.CS

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.67
KDM4E B2RXH2 1/20 0.62
MAPT P10636 1/20 0.62
THRB P10828 1/20 0.62
ALOX15 P16050 1/20 0.62
NFKB1 P19838 1/20 0.62
PTGS2 P35354 1/20 0.62
THPO P40225 1/20 0.62
RECQL P46063 1/20 0.62
BLM P54132 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
ACE P12821 1/20 0.52
FOLH1 Q04609 3/20 0.44
ALDH1A1 P00352 1/20 0.37
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
FNTA P49354 2/20 0.34
FNTB P49356 2/20 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
SCHEMBL31038389 1.00 TGFBR1 (0.67) TGFBR1KDM4EMAPTTHRBALOX15
SCHEMBL9985663 0.98 TGFBR1 (0.69) TGFBR1KDM4EMAPTTHRBALOX15
SCHEMBL9984709 0.98 TGFBR1 (0.69) TGFBR1KDM4EMAPTTHRBALOX15
SCHEMBL13659830 0.82 MAPT (0.69) TGFBR1KDM4EMAPTTHRBALOX15
SCHEMBL3395647 0.82 KDM4E (0.69) TGFBR1KDM4EMAPTTHRBALOX15
SCHEMBL3395639 0.82 KDM4E (0.69) TGFBR1KDM4EMAPTTHRBALOX15
SCHEMBL18306374 0.82 MAPT (0.69) TGFBR1KDM4EMAPTTHRBALOX15
SCHEMBL4984856 0.81 KDM4E (0.67) TGFBR1KDM4EMAPTTHRBALOX15
SCHEMBL8378528 0.81 TGFBR1 (0.52) TGFBR1KDM4EMAPTTHRBALOX15
SCHEMBL5891585 0.80 TGFBR1 (1.00) TGFBR1KDM4EMAPTTHRBALOX15

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