SCHEMBL4330644

SCHEMBL4330644

CCSCc1ccc(N(C(=O)OC(C)(C)C)C(C)C=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.37
PPARA Q07869 9/20 0.37
PPARD Q03181 2/20 0.37
ACE P12821 4/20 0.34
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
NCOR2 Q9Y618 1/20 0.30

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
SCHEMBL4330640 1.00 PPARG (0.37) PPARGPPARAPPARDACEKDM4E
SCHEMBL4381546 0.79 GPR119 (0.35) KDM4EMAPTSLC6A4
SCHEMBL4381548 0.79 GPR119 (0.35) KDM4EMAPTSLC6A4
SCHEMBL3989548 0.78 KMT2A (0.40) MAPT
SCHEMBL2791431 0.78 SMN1; SMN2 (0.39) NPC1MAPTRAB9A
SCHEMBL2791434 0.78 SMN1; SMN2 (0.39) NPC1MAPTRAB9A
SCHEMBL8539792 0.78 SMN1; SMN2 (0.40) RAB9A
SCHEMBL4324062 0.77 TRPM8 (0.40) KDM4ENPC1MAPTRAB9A
SCHEMBL4324066 0.77 TRPM8 (0.40) KDM4ENPC1MAPTRAB9A
SCHEMBL4335628 0.75 SLC7A5 (0.39) HDAC3HDAC1HDAC2NCOR2

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