SCHEMBL6232097

SCHEMBL6232097

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 2/20 0.38
SMN1; SMN2 Q16637 6/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SCN9A Q15858 1/20 0.34
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
APLNR P35414 1/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 3/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 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
SCHEMBL6252072 0.92 PTPN1 (0.39) HCRTR1HCRTR2SMN1; SMN2KDM4ELMNA
SCHEMBL1634394 0.88 PPARG (0.40) HCRTR1HCRTR2SMN1; SMN2TSHRKDM4E
SCHEMBL6216367 0.88 PTPN1 (0.33) SMN1; SMN2LMNASCN9AMAPTPPARA
SCHEMBL6034666 0.88 PPARG (0.36) SMN1; SMN2KDM4ELMNASCN9AMAPT
SCHEMBL6035861 0.87 NPC1 (0.39) HCRTR1HCRTR2SMN1; SMN2TSHRKDM4E
SCHEMBL6036352 0.82 SMN1; SMN2 (0.40) SMN1; SMN2KDM4ELMNAHPGDPPARD
SCHEMBL6217493 0.82 SLC6A9 (0.35) SMN1; SMN2LMNASCN9AMAPTPTPN1
SCHEMBL6221713 0.82 KDM4E (0.31) SMN1; SMN2KDM4EMAPK1MAPTPPARA
SCHEMBL6035452 0.82 GCGR (0.35) HCRTR1HCRTR2SMN1; SMN2KDM4ELMNA
SCHEMBL6036437 0.81 PPARG (0.41) HCRTR1HCRTR2SMN1; SMN2TSHRKDM4E

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