SCHEMBL13045401

SCHEMBL13045401

CCCCCCNC(=O)CCCCCNC(=O)CCS

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.69
DNM1 Q05193 2/20 0.67
FAAH O00519 4/20 0.66
NAAA Q02083 1/20 0.65
EPHX2 P34913 3/20 0.59
SLC6A5 Q9Y345 2/20 0.58
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
EPHX1 P07099 4/20 0.53

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
SCHEMBL21548098 0.96 CASP2 (0.74) CASP2DNM1FAAHNAAAEPHX2
SCHEMBL11132585 0.96 CASP2 (0.74) CASP2DNM1FAAHNAAAEPHX2
SCHEMBL12254784 0.96 CASP2 (0.74) CASP2DNM1FAAHNAAAEPHX2
SCHEMBL9230007 0.96 CASP2 (0.74) CASP2DNM1FAAHNAAAEPHX2
SCHEMBL965531 0.96 CASP2 (0.74) CASP2DNM1FAAHNAAAEPHX2
SCHEMBL20683710 0.96 CASP2 (0.74) CASP2DNM1FAAHNAAAEPHX2
SCHEMBL29290542 0.96 CASP2 (0.74) CASP2DNM1FAAHNAAAEPHX2
SCHEMBL11912070 0.94 CASP2 (0.70) CASP2DNM1FAAHNAAAEPHX2
SCHEMBL17670553 0.93 CASP2 (0.69) CASP2DNM1FAAHNAAAEPHX2
SCHEMBL11704010 0.91 CASP2 (0.71) CASP2DNM1FAAHNAAAEPHX2

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
US-7834144-B2 Prion-specific peptoid reagents NOVARTIS AG (CH) 2010-11-16 US disclosed
US-7834144-B2 Prion-specific peptoid reagents NOVARTIS AG (CH) 2010-11-16 US disclosed