SCHEMBL31058646

SCHEMBL31058646

CC(C)(N)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
PTGS2 P35354 1/20 0.49
THPO P40225 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ACE P12821 6/20 0.45
FOLH1 Q04609 1/20 0.39
MME P08473 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 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
SCHEMBL31058643 0.98 KDM4E (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29476459 0.86 MAPT (0.59) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL31067319 0.79 FOLH1 (0.49) FOLH1CA1CA2
SCHEMBL31058648 0.78 ACE (0.40) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6661779 0.77 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6661780 0.77 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL9324856 0.77 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
Bucillamine SCHEMBL930021 0.75 MAPT (0.59) KDM4EMAPTTHRBALOX15NFKB1
Bucillamine SCHEMBL121965 0.75 MAPT (0.59) KDM4EMAPTTHRBALOX15NFKB1
Bucillamine SCHEMBL522713 0.75 MAPT (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324859-A Polypeptide KN101 for repairing keratin and application thereof 广州源物纪生物科技有限公司 2024-07-12 CN disclosed