SCHEMBL4768428

SCHEMBL4768428

COC(=O)CCCN(C(=O)OC(C)C)c1cscc1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 3/20 0.34
TSHR P16473 2/20 0.32
LTA4H P09960 1/20 0.31
PTPN1 P18031 1/20 0.31
HPGD P15428 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL4768305 0.91 MLYCD (0.34) MLYCDTSHR
SCHEMBL2472495 0.74 KDM4E (0.33) MLYCDTSHRHDAC1HDAC6
SCHEMBL3530650 0.72 NR4A2 (0.37) MLYCDTSHRHPGD
SCHEMBL2472493 0.72 NR4A2 (0.37) MLYCDHPGD
SCHEMBL3535482 0.70 CA12 (0.35) MLYCDHDAC1HDAC6
SCHEMBL3530598 0.69 MLYCD (0.38) MLYCD
SCHEMBL2475488 0.68 MLYCD (0.38) MLYCD
SCHEMBL19085521 0.62 TSHR (0.56) MLYCDTSHR
SCHEMBL28298405 0.62 LMNA (0.67) TSHR
SCHEMBL13800475 0.60 LMNA (0.70) TSHR

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-1732933-B1 COMPOUNDS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2008-07-23 EP disclosed