SCHEMBL8567735

SCHEMBL8567735

C=CCOc1cccc(Oc2ccc(C(=O)OC)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
MAPT P10636 4/20 0.50
ADRB2 P07550 2/20 0.50
ADRB1 P08588 2/20 0.50
ADRB3 P13945 2/20 0.50
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
BLM P54132 2/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.46
CHRNB2 P17787 3/20 0.46
CHRNB4 P30926 3/20 0.46
CHRNA3 P32297 3/20 0.46
CHRNA4 P43681 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL8949705 0.89 MAPT (0.60) RAB9AMAPTADRB2ADRB1ADRB3
SCHEMBL9152506 0.87 TDP1 (0.56) RAB9AMAPTADRB2ADRB1ADRB3
SCHEMBL758035 0.85 ADRB2 (0.61) RAB9AADRB2ADRB1ADRB3NPC1
SCHEMBL542658 0.84 MAPT (0.66) RAB9AMAPTADRB2ADRB1ADRB3
SCHEMBL22215859 0.81 MEN1 (0.47) RAB9AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL26041373 0.81 CA1 (0.49) RAB9AMAPTADRB2ADRB1ADRB3
SCHEMBL7323803 0.80 MAPT (0.60) RAB9AMAPTADRB2ADRB1ADRB3
SCHEMBL22215904 0.80 MEN1 (0.47) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL1161753 0.79 ALDH1A1 (0.49) RAB9AMAPTADRB2ADRB1ADRB3
SCHEMBL6042961 0.78 MAPT (0.47) RAB9AMAPTADRB2ADRB1ADRB3

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