SCHEMBL9214749

SCHEMBL9214749

CCCCCCCCCCCCC(=S)N[C@](CC)(C(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
SOAT1 P35610 4/20 0.42
SOAT2 O75908 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FAAH O00519 1/20 0.40
SIRT2 Q8IXJ6 3/20 0.40
SIRT1 Q96EB6 2/20 0.40
SIRT3 Q9NTG7 1/20 0.40
ASAH1 Q13510 1/20 0.39

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
SCHEMBL9214756 1.00 EPHX2 (0.43) EPHX2CES2CES1SOAT1SOAT2
SCHEMBL9829636 0.77 ALOX5 (0.46) CES2CES1
SCHEMBL9829630 0.77 ALOX5 (0.46) CES2CES1
SCHEMBL9829583 0.75 CXCR2 (0.42) KMT2A
SCHEMBL9829581 0.75 CXCR2 (0.42) KMT2A
SCHEMBL10440896 0.74 POLB (0.48) MEN1KMT2A
SCHEMBL9214760 0.74 HDAC6 (0.41) EPHX2MEN1KMT2A
SCHEMBL18112741 0.73 KMT2A (0.43) MEN1KMT2A
SCHEMBL193093 0.72 KCNN4 (0.44) CES1MEN1KMT2A
SCHEMBL3923935 0.72 POLB (0.50)

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-0499521-B1 Inhibitors of N-myristoyltransferase, their preparation process and pharmaceutical compositions containing them ADIR (FR) 1995-06-14 EP disclosed
EP-0499521-A1 Inhibitors of N-myristoyltransferase, their preparation process and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-08-19 EP disclosed