SCHEMBL8489669

SCHEMBL8489669

CCCCCCOc1ccc2c(O)c(OCC)c(=O)oc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.52
▸ MAOB P27338 1/20 0.52
▸ KDM4E B2RXH2 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ HPGD P15428 4/20 0.51
▸ GAA P10253 1/20 0.51
▸ ALDH2 P05091 1/20 0.50
▸ MAP1LC3B Q9GZQ8 1/20 0.50
▸ MAP1LC3A Q9H492 1/20 0.50
▸ TSHR P16473 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ALPL P05186 1/20 0.47
▸ ALPI P09923 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ STS P08842 1/20 0.47
▸ NQO1 P15559 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
SCHEMBL8485806 0.95 KDM4E (0.54) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL8486987 0.95 MAOA (0.54) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL8495123 0.95 MAOA (0.54) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL8489475 0.93 KDM4E (0.54) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL8489509 0.91 ALDH1A1 (0.57) KDM4EALDH1A1HPGDGAAMAP1LC3B
SCHEMBL6275616 0.91 ALDH2 (0.53) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL6276949 0.91 ALDH2 (0.53) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL6276950 0.91 ALDH2 (0.53) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL6273118 0.91 ALDH2 (0.51) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL6276289 0.91 ALDH2 (0.51) MAOAMAOBKDM4EALDH1A1HPGD

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
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