SCHEMBL4327115

SCHEMBL4327115

CCCC(NC(=O)O)C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
PRSS1 P07477 4/20 0.48
CTSG P08311 4/20 0.48
CTRB1 P17538 4/20 0.48
CMA1 P23946 4/20 0.48
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
PGR P06401 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
HTR2A P28223 1/20 0.45
HRH1 P35367 1/20 0.45
KCNH2 Q12809 1/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 3/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 1/20 0.43

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 0.86 LMNA (0.47) NPC1RAB9ASLC6A2SLC6A3PRSS1
SCHEMBL17644177 0.84 SLC6A2 (0.50) NPC1RAB9ASLC6A2SLC6A3PRSS1
SCHEMBL29421043 0.83 SLC6A2 (0.49) NPC1RAB9ASLC6A2SLC6A3PRSS1
Hydrochloric Acid SCHEMBL22614751 0.83 SLC6A2 (0.49) NPC1RAB9ASLC6A2SLC6A3PRSS1
SCHEMBL29360210 0.81 SLC6A2 (0.51) NPC1RAB9ASLC6A2SLC6A3PRSS1
SCHEMBL836149 0.81 CTSK (0.55) PRSS1CTSGCTRB1CMA1
SCHEMBL836148 0.81 CTSK (0.55) PRSS1CTSGCTRB1CMA1
SCHEMBL4177126 0.80 MDM2 (0.44) NPC1RAB9APGRADRA2AADRA2B
SCHEMBL3316473 0.80 MDM2 (0.44) NPC1RAB9APGRADRA2AADRA2B
SCHEMBL16101837 0.79 CYP3A4 (0.39) NPC1RAB9APGRADRA2AADRA2B

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