SCHEMBL1723974

SCHEMBL1723974

COc1ccc(CC2CN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CCN2)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.35
HTR2B P41595 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2D6 P10635 1/20 0.33
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
HSP90AA1 P07900 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 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
SCHEMBL1724213 0.88 GLA (0.33) FFAR4ALDH1A1HSD17B10GLAHSP90AA1
SCHEMBL659593 0.74 HTR7 (0.37) FFAR4ALDH1A1LMNAMAPK1MAPT
SCHEMBL658414 0.74 FFAR4 (0.35) FFAR4ALDH1A1MAPK1MAPTTSHR
SCHEMBL659855 0.70 PIK3CA (0.36) FFAR4LMNAMAPTALOX15
SCHEMBL660378 0.68 FFAR4 (0.40) FFAR4KDM4EALDH1A1MAPK1
SCHEMBL658001 0.68 HSP90AA1 (0.42) HTR2BKDM4EALDH1A1LMNAHSP90AA1
SCHEMBL658842 0.67 HTR1A (0.38) KDM4EALDH1A1CYP2D6MAPTALOX15
SCHEMBL660332 0.66 DRD2 (0.39) FFAR4ALDH1A1LMNA
SCHEMBL659198 0.66 CCR1 (0.42) LMNAMAPT
SCHEMBL657755 0.66 HSP90AA1 (0.32) HSP90AA1

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-2406243-A1 BENZOFURAN DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2012-01-18 EP disclosed
WO-2010104194-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 WO disclosed