SCHEMBL8567607

SCHEMBL8567607

COC(=O)CCc1c(O)cccc1Oc1ccc(C(=O)OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 3/20 0.43
RAB9A P51151 3/20 0.43
CA12 O43570 3/20 0.42
CA7 P43166 3/20 0.42
CA14 Q9ULX7 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
CA9 Q16790 2/20 0.41
STS P08842 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL8565733 0.85 CYP4A11 (0.54) MAPTL3MBTL1TDP1ESR1ESR2
SCHEMBL8977828 0.84 MAPT (0.57) MAPTL3MBTL1RAB9ASMN1; SMN2LMNA
SCHEMBL8561540 0.80 MAPT (0.43) MAPTL3MBTL1TDP1ESR1ESR2
SCHEMBL4017348 0.79 CA12 (0.48) MAPTTDP1CA1CA2CA12
SCHEMBL8777265 0.77 MRGPRX4 (0.50) MAPTL3MBTL1RAB9ASMN1; SMN2LMNA
SCHEMBL11411879 0.75 CA1 (0.62) MAPTL3MBTL1TDP1CA1CA2
SCHEMBL5205615 0.75 CA12 (0.49) MAPTL3MBTL1TDP1ESR1ESR2
SCHEMBL8560687 0.75 POLB (0.51) MAPTCA1CA2CA12CA7
SCHEMBL27541491 0.74 LTB4R (0.43) MAPTCA1CA2RAB9ACA12
SCHEMBL9176869 0.74 MAPT (0.57) MAPTL3MBTL1TDP1RAB9ASMN1; SMN2

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