SCHEMBL8564848

SCHEMBL8564848

CCOC(=O)CCc1ccccc1OCCCCOc1cc(OCc2ccccc2)ccc1C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.51
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
LMNA P02545 1/20 0.47
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
NR1H4 Q96RI1 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
LTA4H P09960 2/20 0.43
POLB P06746 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
SCHEMBL8562654 0.90 PTGER1 (0.45) PPARGPPARDPPARANR1H4LTB4R
SCHEMBL7901019 0.83 FFAR1 (0.51) MAOBL3MBTL1LMNAPPARGPPARD
SCHEMBL10547115 0.81 MAOB (0.62) MAOBMAPTL3MBTL1LMNANR1H4
SCHEMBL6899074 0.79 MAOB (0.65) MAOBMAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL8562831 0.78 PTGER1 (0.46) LTB4RLTB4R2PTGER1PTGER4PTGER3
SCHEMBL3218781 0.78 L3MBTL1 (0.47) L3MBTL1PPARGPPARDPPARATDP1
SCHEMBL10635313 0.78 CYP4F2 (0.53) MAOBL3MBTL1LMNAPPARGPPARD
SCHEMBL384341 0.77 MAOB (0.78) MAOBMAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL29369517 0.77 MAOB (0.78) MAOBMAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL8549662 0.77 MAOB (0.51) MAOBMAPTL3MBTL1LMNAPPARG

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