SCHEMBL20962292

SCHEMBL20962292

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.46
EPHX2 P34913 3/20 0.34
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC4 P56524 3/20 0.31
HDAC1 Q13547 3/20 0.31
HDAC3 O15379 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC10 Q969S8 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC9 Q9UKV0 2/20 0.31
HDAC5 Q9UQL6 2/20 0.31

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
SCHEMBL20962328 1.00 EPHX1 (0.46) EPHX1EPHX2TSHRSMN1; SMN2MEN1
SCHEMBL21716644 0.87 EPHX1 (0.39) EPHX1EPHX2TSHRSMN1; SMN2MEN1
SCHEMBL20962291 0.87 EPHX1 (0.42) EPHX1EPHX2TSHRSMN1; SMN2MEN1
SCHEMBL25919981 0.85 EPHX1 (0.41) EPHX1EPHX2TSHRSMN1; SMN2MEN1
SCHEMBL17080653 0.85 HDAC4 (0.39) EPHX1EPHX2TSHRSMN1; SMN2MEN1
SCHEMBL807923 0.84 EPHX1 (0.41) EPHX1EPHX2TSHRSMN1; SMN2MEN1
SCHEMBL22386550 0.84 EPHX1 (0.41) EPHX1EPHX2TSHRSMN1; SMN2MEN1
SCHEMBL25919987 0.75 MAPT (0.40) EPHX1EPHX2MEN1KMT2A
SCHEMBL25919983 0.74 EPHX1 (0.36) EPHX1EPHX2HDAC4HDAC1HDAC3
SCHEMBL22386546 0.74 MAPT (0.39) EPHX1MEN1KMT2A

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
EP-2616102-B1 PRODRUGS COMPRISING AN EXENDIN LINKER CONJUGATE SANOFI AVENTIS DEUTSCHLAND (DE) 2019-05-01 EP disclosed