SCHEMBL17080653

SCHEMBL17080653

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
EPHX1 P07099 3/20 0.37
TSHR P16473 2/20 0.32
EPHX2 P34913 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CA3 P07451 1/20 0.30
CA5A P35218 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL20962292 0.85 EPHX1 (0.46) HDAC4HDAC1EPHX1TSHREPHX2
SCHEMBL20962328 0.85 EPHX1 (0.46) HDAC4HDAC1EPHX1TSHREPHX2
SCHEMBL20962291 0.84 EPHX1 (0.42) EPHX1TSHREPHX2SMN1; SMN2MEN1
SCHEMBL21716644 0.84 EPHX1 (0.39) HDAC4HDAC1EPHX1TSHREPHX2
SCHEMBL25919981 0.82 EPHX1 (0.41) HDAC4HDAC1EPHX1TSHREPHX2
SCHEMBL22386550 0.81 EPHX1 (0.41) HDAC4HDAC1EPHX1TSHREPHX2
SCHEMBL807923 0.81 EPHX1 (0.41) HDAC4HDAC1EPHX1TSHREPHX2
SCHEMBL20026739 0.76 EPHX1 (0.45) HDAC4HDAC1EPHX1CA3CA5A
SCHEMBL25920320 0.76 EPHX1 (0.45) HDAC4HDAC1EPHX1CA3CA5A
SCHEMBL25825388 0.74 EPHX1 (0.42) HDAC4HDAC1EPHX1CA3CA5A

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-9133276-B2 Prodrugs comprising an exendin linker conjugate SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2015-09-15 US disclosed