SCHEMBL6993579

SCHEMBL6993579

CC(CCNC(=O)c1ccc(C(C)C)cc1)CC(=O)NC12CCCC1OCC2=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.37
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 4/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
HDAC3 O15379 1/20 0.33
CTSK P43235 1/20 0.32
EPHX2 P34913 4/20 0.32

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
SCHEMBL6300590 0.90 ESRRG (0.36) LMNAHPGDRAB9ASMN1; SMN2NPC1
SCHEMBL7204140 0.90 KMT2A (0.41) HPGDSMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL6996553 0.90 DPP4 (0.37) MEN1KMT2AEPHX2
SCHEMBL6985875 0.80 LMNA (0.40) LMNAHPGDRAB9ASMN1; SMN2NPC1
SCHEMBL6988745 0.80 CTSK (0.35) LMNAHPGDRAB9ASMN1; SMN2NPC1
SCHEMBL6994067 0.78 RAB9A (0.41) LMNARAB9ASMN1; SMN2NPC1MEN1
SCHEMBL6699225 0.76 CTSK (0.53) CTSK
SCHEMBL6993081 0.76 CTSK (0.35) LMNARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL6992764 0.76 HPGD (0.39) LMNAHPGDRAB9ASMN1; SMN2NPC1
SCHEMBL6295603 0.75 TACR2 (0.40) CTSK

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