SCHEMBL8563345

SCHEMBL8563345

CCOC1(OCC)CCc2c(ccc3c(=O)c4ccccc4oc23)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 10/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PTGS2 P35354 1/20 0.40
▸ HPGD P15428 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PGAM1 P18669 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PDE4D Q08499 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ XDH P47989 1/20 0.34

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
SCHEMBL8410948 0.80 KDM4E (0.31) MAOAKDM4ENPC1RAB9AALDH1A1
SCHEMBL12608798 0.70 PTGS2 (0.48) MAOAKDM4ENPC1RAB9AALDH1A1
SCHEMBL13395979 0.64 KDM4E (0.65) MAOAKDM4ENPC1RAB9AALDH1A1
SCHEMBL134197 0.62 PTGS2 (0.48) MAOAKDM4ENPC1RAB9AALDH1A1
Xanthone SCHEMBL27860392 0.62 RAB9A (0.59) MAOAKDM4ENPC1RAB9AALDH1A1
Xanthone SCHEMBL7422094 0.61 MAOA (0.69) MAOAKDM4ENPC1RAB9AALDH1A1
SCHEMBL9836636 0.61 PTGS2 (0.47) MAOAKDM4ENPC1RAB9AALDH1A1
SCHEMBL13298866 0.61 PTGS2 (0.44) MAOAKDM4ENPC1RAB9AALDH1A1
SCHEMBL8949582 0.61 GPR119 (0.43) CYP3A4
SCHEMBL1324122 0.61 PTGS2 (0.57) MAOAKDM4ENPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544488-B1 Substituted phenyl phenol leukotriene antagonists LILLY CO ELI (US) 1998-03-11 — — EP disclosed
WO-1996036347-A1 USE OF LEUKOTRIENE ANTAGONISTS FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1996-11-21 — — WO disclosed
EP-0743064-A1 Leukotriene antagonists for use in the treatment or prevention of alzheimer's disease ELI LILLY AND COMPANY (US) 1996-11-20 — — EP disclosed
US-5462954-A Antiinflammatory, antiallergens; treating asthma ELI LILLY AND COMPANY (US) 1995-10-31 — — US disclosed
EP-0544488-A2 Substituted phenyl phenol leukotriene antagonists ELI LILLY AND COMPANY (US) 1993-06-02 — — EP disclosed
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