SCHEMBL8465773

SCHEMBL8465773

COc1ccc(/C=C2\COc3ccc(O)cc3C2=O)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.79
ALDH1A1 P00352 3/20 0.73
MAPT P10636 3/20 0.73
HPGD P15428 2/20 0.73
ATM Q13315 2/20 0.73
MAOB P27338 8/20 0.70
TP53 P04637 2/20 0.67
CYP3A4 P08684 2/20 0.67
MAPK1 P28482 2/20 0.67
LMNA P02545 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 1/20 0.60
USP2 O75604 1/20 0.60
ALOX15 P16050 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
CXCL12 P48061 1/20 0.59
MIF P14174 1/20 0.57

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
SCHEMBL8465775 1.00 APP (0.79) APPALDH1A1MAPTHPGDATM
SCHEMBL5725497 0.91 MAPT (0.77) APPALDH1A1MAPTHPGDATM
SCHEMBL5725448 0.83 MAOB (0.67) APPALDH1A1MAPTHPGDATM
SCHEMBL5724831 0.83 MAOB (0.67) APPALDH1A1MAPTHPGDATM
SCHEMBL25035409 0.83 CXCL12 (0.80) APPALDH1A1MAPTHPGDATM
SCHEMBL30274371 0.83 CXCL12 (0.80) APPALDH1A1MAPTHPGDATM
SCHEMBL14160665 0.83 MAPT (0.82) APPALDH1A1MAPTHPGDATM
SCHEMBL25035376 0.82 APP (0.77) APPALDH1A1MAPTHPGDATM
SCHEMBL4732781 0.82 MAOB (0.76) APPALDH1A1MAPTHPGDATM
SCHEMBL31567962 0.82 APP (0.78) APPALDH1A1MAPTHPGDATM

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
US-5998451-A LIPOXYGENASE INHIBITORS PFIZER INC (US) 1999-12-07 US disclosed
EP-0313295-B1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA, ARTHRITIS AND RELATED DISEASES PFIZER INC. (US) 1993-07-28 EP disclosed
US-5059609-A Lipoxygenase inhibitors; leukotriene receptor blockers; psoriasis; antiulcer agents and myocardial infarctions PFIZER INC. (US) 1991-10-22 US disclosed
EP-0313295-A2 Substituted tetralins, chromans and related compounds in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1989-04-26 EP disclosed