SCHEMBL4464857

SCHEMBL4464857

CC(NC(=O)O)C(=O)COc1cccc(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.48
GRM2 Q14416 2/20 0.44
CASP3 P42574 4/20 0.41
CASP6 P55212 4/20 0.41
CASP8 Q14790 4/20 0.41
FFAR1 O14842 2/20 0.39
KDM4E B2RXH2 1/20 0.38
PTGER2 P43116 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL837058 0.81 SMN1; SMN2 (0.47) CASP3CASP6CASP8FFAR1MEN1
SCHEMBL28291329 0.71 KDM4E (0.53) CTSBGRM2KDM4EPOLBHPGD
SCHEMBL23112167 0.70 ALDH1A1 (0.49) GRM2KDM4EMEN1KMT2AHPGD
SCHEMBL9937004 0.69 CASP3 (0.43) CTSBCASP3CASP6CASP8
SCHEMBL16857265 0.68 CES2 (0.49) MEN1POLBKMT2A
SCHEMBL851513 0.68 CTSK (0.45) CTSBCASP3FFAR1MEN1KMT2A
SCHEMBL15763907 0.68 CES2 (0.44) CTSBGRM2KMT2AHPGD
SCHEMBL15684654 0.68 GRM2 (0.45) GRM2FFAR1
SCHEMBL13506327 0.67 LMNA (0.56) GRM2KDM4EKMT2A
SCHEMBL17897035 0.67 L3MBTL1 (0.54) FFAR1KDM4EPTGER2POLBHPGD

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