SCHEMBL6212410

SCHEMBL6212410

CC(C)CC(CC(=O)N1CCOCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
CTSK P43235 3/20 0.34
REN P00797 9/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
AIMP2 Q13155 1/20 0.32
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
MME P08473 1/20 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
SCHEMBL6211805 0.91 CTSK (0.35) CTSKKMT2A
SCHEMBL6209026 0.90 KDM4E (0.40) CTSKMMP2MEN1KMT2A
SCHEMBL6267150 0.86 CTSK (0.33) CTSK
SCHEMBL4042797 0.83 CTSK (0.45) POLBCTSKRENCTSLCTSS
SCHEMBL4043526 0.82 KMT2A (0.35) POLBCTSKRENMEN1KMT2A
SCHEMBL4044663 0.81 HSD17B10 (0.37) RENKMT2A
SCHEMBL4039943 0.81 POLB (0.35) POLBCTSKRENMMP2MMP8
SCHEMBL4043246 0.79 POLB (0.36) POLBCTSKRENMMP2MMP8
SCHEMBL4044024 0.79 REN (0.38) POLBCTSKRENKMT2ACTSL
SCHEMBL4038283 0.78 ALDH1A1 (0.38) POLBCTSKRENMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed