SCHEMBL6252072

SCHEMBL6252072

CCC(CC)c1nn(-c2ccc(C(F)(F)F)cn2)cc1CCCOc1c(C)cccc1OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.39
SMN1; SMN2 Q16637 7/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 5/20 0.35
LMNA P02545 4/20 0.35
MAPT P10636 5/20 0.35
HTT P42858 3/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
IDE P14735 1/20 0.32

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
SCHEMBL6232097 0.92 HCRTR1 (0.38) PTPN1SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL6035857 0.88 PTPN1 (0.41) PTPN1PPARGPPARA
SCHEMBL6215845 0.88 PTPN1 (0.41) PTPN1SMN1; SMN2LMNAMAPTPPARG
SCHEMBL6035913 0.87 SMN1; SMN2 (0.35) SMN1; SMN2HPGDKDM4ELMNAMAPT
SCHEMBL1634394 0.82 PPARG (0.40) SMN1; SMN2HPGDKDM4ELMNAHTT
SCHEMBL6036352 0.82 SMN1; SMN2 (0.40) SMN1; SMN2HPGDKDM4ELMNATHRB
SCHEMBL6035452 0.82 GCGR (0.35) SMN1; SMN2HPGDKDM4ELMNAMAPT
SCHEMBL6036248 0.81 PPARD (0.40) SMN1; SMN2HPGDKDM4ELMNAPPARG
SCHEMBL6232363 0.81 PPARG (0.33) PTPN1PPARGPPARA
SCHEMBL6218384 0.81 PPARG (0.33) PTPN1PPARGPPARA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed