SCHEMBL6993081

SCHEMBL6993081

CC(C)c1ccc(C(=O)NCC(C(=O)NC23CCCC2OCC3=O)c2cccc(O)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
MGLL Q99685 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
AR P10275 2/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
HPGDS O60760 1/20 0.31
TACR2 P21452 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
SCHEMBL6988745 0.91 CTSK (0.35) CTSKSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6993839 0.91 HTR1A (0.39) SMN1; SMN2NPC1MEN1KMT2ALMNA
SCHEMBL6994214 0.90 MEN1 (0.36) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL6992764 0.89 HPGD (0.39) CTSKSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6994341 0.88 KMT2A (0.38) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL6994067 0.88 RAB9A (0.41) CTSKSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6295541 0.83 TACR2 (0.39) CTSKHPGDSTACR2
SCHEMBL6294364 0.83 TP53 (0.38) CTSKRAB9ALMNAMAPT
SCHEMBL6989694 0.82 KMT2A (0.40) SMN1; SMN2NPC1MEN1KMT2ALMNA
SCHEMBL6996937 0.82 TP53 (0.40) CTSKLMNAMAPT

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-1358176-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
WO-2002057246-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed