SCHEMBL20122458

SCHEMBL20122458

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 15/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ FOLH1 Q04609 1/20 0.38
▸ MME P08473 1/20 0.34
▸ ACE2 Q9BYF1 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
SCHEMBL20122461 0.84 KDM4E (0.55) ACEKDM4EMAPTTHRBALOX15
SCHEMBL20122474 0.83 ACE (0.32) ACEFOLH1MMEACE2
SCHEMBL26948298 0.81 ACE (0.50) ACEKDM4EMAPTTHRBALOX15
SCHEMBL11330585 0.80 KDM4E (0.53) ACEKDM4EMAPTTHRBALOX15
SCHEMBL24359900 0.80 KDM4E (0.53) ACEKDM4EMAPTTHRBALOX15
SCHEMBL20122404 0.79 ACE (0.40) ACEKDM4EMAPTTHRBALOX15
SCHEMBL6661780 0.76 KDM4E (0.61) ACEKDM4EMAPTTHRBALOX15
SCHEMBL9324856 0.76 KDM4E (0.61) ACEKDM4EMAPTTHRBALOX15
SCHEMBL6661779 0.76 KDM4E (0.61) ACEKDM4EMAPTTHRBALOX15
SCHEMBL24668415 0.75 KDM4E (0.55) ACEKDM4EMAPTTHRBALOX15

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
US-9963428-B1 Bucillamine prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2018-05-08 — — US disclosed
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