SCHEMBL6689978

SCHEMBL6689978

CC(C)(CCNC(=O)OC(C)(C)C)CC(=O)N(CCC1CNc2ccc(F)cc21)COCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.33
TACR2 P21452 1/20 0.32
BCHE P06276 1/20 0.32
CNR2 P34972 1/20 0.32
NPY5R Q15761 1/20 0.31
IDO1 P14902 1/20 0.31
USP2 O75604 1/20 0.31
GNRHR P30968 1/20 0.31
CTSS P25774 2/20 0.31
AKT1 P31749 2/20 0.31
SYK P43405 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PPARA Q07869 1/20 0.31
EPHX2 P34913 1/20 0.30
CKS1B P61024 1/20 0.30
SKP1 P63208 1/20 0.30
SKP2 Q13309 1/20 0.30
RAB9A P51151 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
SCHEMBL6689803 0.86 SIGMAR1 (0.39) SIGMAR1CTSSCTSLRAB9A
SCHEMBL6690790 0.81 SYK (0.34) TACR2NPY5RCTSSSYKCTSL
SCHEMBL6694083 0.77 CCNT1 (0.33)
SCHEMBL8286606 0.72 IDO1 (0.53) TACR2IDO1CTSLL3MBTL1
SCHEMBL4973253 0.71 CTSS (0.42) SIGMAR1NPY5RCTSSSYKCTSL
SCHEMBL12696399 0.69 NQO2 (0.44) BCHEIDO1EPHX2
SCHEMBL6688100 0.68 CTSS (0.41) SIGMAR1CTSSCTSLRAB9A
SCHEMBL20505740 0.67 EPHX2 (0.50) BCHEIDO1EPHX2
SCHEMBL29572544 0.67 EPHX2 (0.50) BCHEIDO1EPHX2
SCHEMBL6686186 0.66 CCNT1 (0.36) EPHX2

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
WO-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed