SCHEMBL29089014

SCHEMBL29089014

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
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
ACE P12821 1/20 0.52
FOLH1 Q04609 3/20 0.44
FNTA P49354 7/20 0.44
FNTB P49356 7/20 0.44
ALDH1A1 P00352 2/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
TGFBR1 P36897 1/20 0.35
HPGD P15428 1/20 0.34
CA12 O43570 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
SCHEMBL29089013 1.00 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL1724627 0.81 FNTA (0.71) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL1724630 0.81 FNTA (0.71) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL1724628 0.81 FNTA (0.71) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL29054431 0.81 FNTA (0.71) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL28699426 0.79 ALDH1A1 (0.63) MAPTFOLH1FNTAFNTBALDH1A1
SCHEMBL28699427 0.79 ALDH1A1 (0.63) MAPTFOLH1FNTAFNTBALDH1A1
SCHEMBL27619146 0.78 KDM4E (0.57) SMN1; SMN2KDM4EMAPTTHRBALOX15
Acetylcysteine SCHEMBL5291 0.77 MAPT (1.00) SMN1; SMN2KDM4EMAPTTHRBALOX15
Acetylcysteine SCHEMBL3923962 0.77 MAPT (1.00) SMN1; SMN2KDM4EMAPTTHRBALOX15

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-117919973-A Preparation method of charged hydrogel polyamide double-network reverse osmosis membrane 哈尔滨工业大学 2024-04-26 CN claimed
CN-116617863-A Preparation method of hydrophilic-hydrophobic phase ultrathin hydrogel modified membrane 哈尔滨工业大学 2023-08-22 CN claimed