SCHEMBL807923

SCHEMBL807923

C[C@@H](NC(=O)NCCNCCCCCCS)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.41
TSHR P16473 2/20 0.38
EPHX2 P34913 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC9 Q9UKV0 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32
PAOX Q6QHF9 3/20 0.32
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL22386550 1.00 EPHX1 (0.41) EPHX1TSHREPHX2SMN1; SMN2MEN1
SCHEMBL25919981 0.87 EPHX1 (0.41) EPHX1TSHREPHX2SMN1; SMN2MEN1
SCHEMBL20962328 0.84 EPHX1 (0.46) EPHX1TSHREPHX2SMN1; SMN2MEN1
SCHEMBL20962292 0.84 EPHX1 (0.46) EPHX1TSHREPHX2SMN1; SMN2MEN1
SCHEMBL22386546 0.83 MAPT (0.39) EPHX1MEN1KMT2A
SCHEMBL21716644 0.83 EPHX1 (0.39) EPHX1TSHREPHX2SMN1; SMN2MEN1
SCHEMBL20962291 0.83 EPHX1 (0.42) EPHX1TSHREPHX2SMN1; SMN2MEN1
SCHEMBL22386545 0.81 EPHX1 (0.33) EPHX1HDAC3HDAC4HDAC1HDAC7
SCHEMBL17080653 0.81 HDAC4 (0.39) EPHX1TSHREPHX2SMN1; SMN2MEN1
SCHEMBL26045235 0.80 TSHR (0.34) EPHX1TSHRHDAC4HDAC1

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
WO-2012035139-A1 PRODRUGS COMPRISING AN EXENDIN LINKER CONJUGATE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-03-22 WO disclosed