SCHEMBL5756949

SCHEMBL5756949

CC(C)(C)OC(=O)NC(CNC(=O)c1ccccc1O)C(Cc1ccc(N2CCOCC2)cc1)SCC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.37
KLK5 Q9Y337 1/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL5756667 0.86 REN (0.38) REN
SCHEMBL5754577 0.86 REN (0.39) RENKLK5
SCHEMBL5754117 0.86 CACNA1B (0.42) RENKLK5LMNA
SCHEMBL5758360 0.84 PSMB1 (0.45) REN
SCHEMBL5754373 0.83 MAPT (0.32) RENCTSLCTSSCTSKKDM4E
SCHEMBL5755652 0.82 GPR119 (0.38) RENKLK5
SCHEMBL5756196 0.80 CACNA1B (0.38) KLK5LMNAHPGD
SCHEMBL5754050 0.80 NPC1 (0.37) RENCTSS
SCHEMBL5753257 0.79 MEN1 (0.43) LMNA
SCHEMBL5756303 0.78 KMT2A (0.37) KDM4ELMNASMN1; SMN2

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-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed