SCHEMBL14185877

SCHEMBL14185877

CC[C@H](NC(=O)CC(C)(C)C)C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.46
PRSS1 P07477 4/20 0.46
CTSG P08311 4/20 0.46
CTRB1 P17538 4/20 0.46
CMA1 P23946 4/20 0.46
HPGD P15428 3/20 0.44
RAB9A P51151 3/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 3/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.41
PGR P06401 1/20 0.41
ADRA2A P08913 1/20 0.41

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
SCHEMBL4332252 0.80 LMNA (0.47) PRSS1CTSGCTRB1CMA1HPGD
SCHEMBL834063 0.78 PPARA (0.54) PRSS1CTSGCTRB1CMA1
SCHEMBL834064 0.78 PPARA (0.54) PRSS1CTSGCTRB1CMA1
SCHEMBL10340094 0.78 LMNA (0.45) PRSS1CTSGCTRB1CMA1HPGD
SCHEMBL31445909 0.77 MAPT (0.39) ADORA1HPGDRAB9AGAAMAPT
SCHEMBL28190506 0.75 LMNA (0.49) PRSS1CTSGCTRB1CMA1HPGD
SCHEMBL23921461 0.74 ACE (0.58) LMNAKMT2AMME
SCHEMBL21777483 0.74 ACE (0.58) LMNAKMT2AMME
SCHEMBL19751451 0.74 HPGD (0.33) ADORA1HPGDRAB9AGAAMAPT
SCHEMBL12294114 0.73 HPGD (0.59) HPGDMAPTLMNAPOLBMME

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-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed