SCHEMBL3050141

SCHEMBL3050141

CCCCCCOC(=O)[C@H](CS)NC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 17)

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
PLA2G2C Q5R387 7/20 0.48
EPHX1 P07099 1/20 0.46
TSHR P16473 2/20 0.45
NAAA Q02083 1/20 0.44
NOD1 Q9Y239 1/20 0.41
FAAH O00519 1/20 0.41
ACHE P22303 3/20 0.41

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
SCHEMBL110902 1.00 KDM4E (0.49) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL112233 1.00 KDM4E (0.49) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL113035 1.00 KDM4E (0.49) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL113034 1.00 KDM4E (0.49) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL112448 1.00 KDM4E (0.49) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL110903 1.00 KDM4E (0.49) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL111288 1.00 KDM4E (0.49) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL112449 1.00 KDM4E (0.49) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL111289 1.00 KDM4E (0.49) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL3050140 1.00 KDM4E (0.49) 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
US-RE41339-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use TRISTRATA, INC. (US) 2010-05-18 US claimed