SCHEMBL2429387

SCHEMBL2429387

CC(=O)NC(CSSCC(NC(C)=O)C(O)=S)C(=O)SCF

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PAM P19021 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL2463624 0.91 PAM (0.39) PAMKDM4EMAPTTHRBALOX15
SCHEMBL2429383 0.83 KDM4E (0.36) PAMKDM4EMAPTTHRBALOX15
SCHEMBL2466567 0.79 PAM (0.38) PAMKDM4EMAPTTHRBALOX15
SCHEMBL2403433 0.75 MAPT (0.42) PAMKDM4EMAPTTHRBALOX15
SCHEMBL28831487 0.75 MAPT (0.41) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL12308073 0.73 PAM (0.34) PAMKDM4EMAPTTHRBALOX15
SCHEMBL2429392 0.71 — —
SCHEMBL24067699 0.70 MAPT (0.59) PAMKDM4EMAPTTHRBALOX15
SCHEMBL308082 0.70 MAPT (0.59) PAMKDM4EMAPTTHRBALOX15
SCHEMBL25329304 0.70 MAPT (0.59) PAMKDM4EMAPTTHRBALOX15

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
EP-2545033-A2 PROPIONIC ACIDS, PROPIONIC ACID ESTERS, AND RELATED COMPOUNDS Promentis Pharmaceuticals, Inc. (US) 2013-01-16 — — EP disclosed
WO-2011112535-A2 PROPIONIC ACIDS, PROPIONIC ACID ESTERS, AND RELATED COMPOUNDS PROMENTIS PHARMACEUTICALS, INC. (US) 2011-09-15 — — WO disclosed
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