SCHEMBL4602607

SCHEMBL4602607

COCCOc1ccc(CCCS(=O)(=O)NCCc2ccccn2)c(OC2CCCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.43
HRH1 P35367 6/20 0.38
KCNH2 Q12809 6/20 0.38
PDE4D Q08499 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
NPC1 O15118 1/20 0.35
GRM5 P41594 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL4600790 0.93 PPARG (0.40) PPARGHRH1KCNH2PDE4DPDE4A
SCHEMBL4600676 0.87 PPARG (0.44) PPARGRAB9AKDM4EMAPTNPC1
SCHEMBL4602137 0.84 PPARG (0.41) PPARGRAB9ANPC1GRM5
SCHEMBL4600582 0.81 PPARG (0.60) PPARGKDM4EMAPT
SCHEMBL27716297 0.81 PPARG (0.43) PPARGPDE4D
SCHEMBL4602971 0.79 PPARG (0.41) PPARG
SCHEMBL4600892 0.76 PPARG (0.75) PPARG
SCHEMBL27737202 0.75 PPARG (0.43) PPARGPDE4DPDE4APDE4BPDE4C
SCHEMBL27716255 0.74 PPARG (0.44) PPARGPDE4DPDE4APDE4BPDE4C
SCHEMBL4602019 0.74 PPARG (0.45) PPARGKCNH2PDE4DPDE4APDE4B

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-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed