SCHEMBL8489107

SCHEMBL8489107

CC(C)CCCOc1c(O)c2ccc(O)cc2oc1=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 4/20 0.51
MAP1LC3B Q9GZQ8 8/20 0.49
MAP1LC3A Q9H492 8/20 0.49
HSD17B3 P37058 3/20 0.48
PDE2A O00408 1/20 0.46
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
MAPT P10636 1/20 0.44
PKLR P30613 1/20 0.43

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
SCHEMBL6270386 0.91 TLR7 (0.46) NQO1MAP1LC3BMAP1LC3AHSD17B3PDE2A
SCHEMBL6276622 0.87 MAP1LC3B (0.57) NQO1MAP1LC3BMAP1LC3AHSD17B3PDE2A
SCHEMBL8488403 0.86 MAP1LC3B (0.53) NQO1MAP1LC3BMAP1LC3AHSD17B3PDE2A
SCHEMBL8492040 0.85 NQO1 (0.55) NQO1MAP1LC3BMAP1LC3AHSD17B3PDE2A
SCHEMBL8489872 0.85 MAP1LC3B (0.53) NQO1MAP1LC3BMAP1LC3AHSD17B3PDE2A
SCHEMBL6277138 0.85 MAP1LC3B (0.53) NQO1MAP1LC3BMAP1LC3AHSD17B3PDE2A
SCHEMBL8488462 0.85 MAP1LC3B (0.53) NQO1MAP1LC3BMAP1LC3AHSD17B3PDE2A
SCHEMBL6277201 0.85 MAP1LC3B (0.53) NQO1MAP1LC3BMAP1LC3AHSD17B3PDE2A
SCHEMBL6276869 0.82 NQO1 (0.57) NQO1HSD17B3PDE2AESR1ESR2
SCHEMBL8488414 0.80 HSD17B3 (0.54) NQO1HSD17B3PDE2AESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1101678-C Benzopyran derivative and therapeutic agent for heart disease containing the same as active ingredient DAINIPPON INK & CHEMICALS (JP) 2003-02-19 CN disclosed
US-5981495-A TREATING HEART DISEASE BY ADMINISTERING TO THE HEART PATIENT A BENOPYRAN DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-11-09 US disclosed
CN-1164999-A Benzopyran derivative and therapeutic agent for heart disease containing the same as active ingredient DAINIPPON INK & CHEMICALS (JP) 1997-11-19 CN disclosed
EP-0796854-A1 Benzopyran derivative and use of said benzopyran derivative for treating heart disease DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-09-24 EP disclosed