SCHEMBL4331971

SCHEMBL4331971

CC(C=O)N(C(=O)OC(C)(C)C)c1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
BCL2A1 Q16548 1/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.31
LIPE Q05469 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 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
SCHEMBL4331969 1.00 CTSK (0.36) CTSKKMT2AMEN1HPGDALDH1A1
SCHEMBL28339421 0.86 USP30 (0.38) ALDH1A1NPC1LMNA
SCHEMBL8539792 0.80 SMN1; SMN2 (0.40) KMT2AMEN1ALDH1A1LMNA
SCHEMBL10520052 0.80 NPSR1 (0.39) ALDH1A1MAPTNPC1
SCHEMBL1643846 0.76 SLC6A2 (0.39) HPGDALDH1A1MAPTBCL2A1NPC1
SCHEMBL7447861 0.74 MEN1 (0.40) CTSKKMT2AMEN1ALDH1A1
SCHEMBL3989548 0.72 KMT2A (0.40) CTSKKMT2AMEN1ALDH1A1MAPT
SCHEMBL2791434 0.72 SMN1; SMN2 (0.39) CTSKKMT2AMEN1ALDH1A1MAPT
SCHEMBL2791431 0.72 SMN1; SMN2 (0.39) CTSKKMT2AMEN1ALDH1A1MAPT
SCHEMBL4324062 0.71 TRPM8 (0.40) CTSKHPGDALDH1A1MAPTNPC1

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-2102169-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS AstraZeneca AB (SE) 2009-09-23 EP disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed