SCHEMBL8488462

SCHEMBL8488462

CCCCCCCCCCOc1c(O)c2ccc(O)cc2oc1=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 4/20 0.53
MAP1LC3A Q9H492 4/20 0.53
HSD17B3 P37058 3/20 0.52
NQO1 P15559 3/20 0.51
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
ERAP1 Q9NZ08 1/20 0.49
PPARG P37231 1/20 0.48
PGAM1 P18669 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PDE2A O00408 1/20 0.46

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
SCHEMBL6277138 1.00 MAP1LC3B (0.53) MAP1LC3BMAP1LC3AHSD17B3NQO1ALDH1A1
SCHEMBL8489872 1.00 MAP1LC3B (0.53) MAP1LC3BMAP1LC3AHSD17B3NQO1ALDH1A1
SCHEMBL6277201 1.00 MAP1LC3B (0.53) MAP1LC3BMAP1LC3AHSD17B3NQO1ALDH1A1
SCHEMBL8488403 0.99 MAP1LC3B (0.53) MAP1LC3BMAP1LC3AHSD17B3NQO1ALDH1A1
SCHEMBL6276622 0.95 MAP1LC3B (0.57) MAP1LC3BMAP1LC3AHSD17B3NQO1ALDH1A1
SCHEMBL8489977 0.91 HSD17B3 (0.53) MAP1LC3BMAP1LC3AHSD17B3NQO1ALDH1A1
SCHEMBL8492040 0.91 NQO1 (0.55) MAP1LC3BMAP1LC3AHSD17B3NQO1ALDH1A1
SCHEMBL8494936 0.90 ALOX15 (0.51) MAP1LC3BMAP1LC3AHSD17B3PGAM1
SCHEMBL6272846 0.90 ALOX15 (0.51) MAP1LC3BMAP1LC3AHSD17B3PGAM1
SCHEMBL6274447 0.90 ALOX15 (0.51) MAP1LC3BMAP1LC3AHSD17B3PGAM1

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 7 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
EP-0598117-B1 BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK & CHEMICALS (JP) 1999-06-30 EP 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
US-5428059-A Benzopyran derivatives and an anti-allergic agent possessing the same as the active ingredient DAINIPPON INK & CHEMICALS, INC. (JP) 1995-06-27 US disclosed
EP-0598117-A1 BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-05-25 EP disclosed