SCHEMBL4332252

SCHEMBL4332252

CCC(NC(=O)O)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
HSD17B10 Q99714 1/20 0.47
PGR P06401 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
KCNH2 Q12809 1/20 0.47
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 1/20 0.46
PRSS1 P07477 1/20 0.45
CTSG P08311 1/20 0.45
CTRB1 P17538 1/20 0.45
CMA1 P23946 1/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
NPC1 O15118 3/20 0.43
POLB P06746 2/20 0.43
MDM2 Q00987 1/20 0.43
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL4327115 0.86 NPC1 (0.49) LMNAHSD17B10PGRADRA2AADRA2B
SCHEMBL10340094 0.86 LMNA (0.45) LMNAHSD17B10PGRADRA2AADRA2B
SCHEMBL28190506 0.83 LMNA (0.49) LMNAHSD17B10PGRADRA2AADRA2B
SCHEMBL4177126 0.83 MDM2 (0.44) LMNAHSD17B10PGRADRA2AADRA2B
SCHEMBL3316473 0.83 MDM2 (0.44) LMNAHSD17B10PGRADRA2AADRA2B
SCHEMBL2714974 0.81 MDM2 (0.43) LMNAHSD17B10PGRADRA2AADRA2B
SCHEMBL14185877 0.80 ADORA1 (0.46) LMNAHSD17B10PGRADRA2AADRA2B
SCHEMBL834064 0.79 PPARA (0.54) PRSS1CTSGCTRB1CMA1
SCHEMBL6202818 0.79 ALDH1A1 (0.56) LMNARAB9AALDH1A1PRSS1CTSG
SCHEMBL834063 0.79 PPARA (0.54) PRSS1CTSGCTRB1CMA1

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