SCHEMBL8949705

SCHEMBL8949705

C=CCOc1ccc(Oc2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
RAB9A P51151 6/20 0.55
NPC1 O15118 6/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
POLB P06746 1/20 0.55
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
ADRB3 P13945 1/20 0.54
BLM P54132 1/20 0.53
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CHRNB2 P17787 3/20 0.49
CHRNB4 P30926 3/20 0.49
CHRNA3 P32297 3/20 0.49
CHRNA4 P43681 3/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL542658 0.95 MAPT (0.66) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL7323803 0.91 MAPT (0.60) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL8567735 0.89 RAB9A (0.50) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL5204910 0.85 MAPT (0.56) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL7317153 0.84 MAPT (0.55) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL26041373 0.82 CA1 (0.49) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL8916998 0.82 MAPT (0.71) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL5059126 0.82 MAPT (0.70) MAPTRAB9ANPC1SMN1; SMN2CA1
SCHEMBL5059128 0.82 MAPT (0.70) MAPTRAB9ANPC1SMN1; SMN2CA1
SCHEMBL8092371 0.81 MAPT (0.49) MAPTRAB9ANPC1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552441-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
US-5324743-A Leukotriene B4 antagonists ELI LILLY AND COMPANY (US) 1994-06-28 US disclosed