SCHEMBL8808705

SCHEMBL8808705

CC(=O)Oc1cccc2c1CCC(C=CCn1cc(C(c3ccccc3)c3cccnc3)cn1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 12/20 0.51
TBXAS1 P24557 2/20 0.43
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CFTR P13569 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
GOPC Q9HD26 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ACHE P22303 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32

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
SCHEMBL8810877 0.89 PTGIR (0.65) PTGIRTBXAS1
SCHEMBL8808701 0.89 PTGIR (0.65) PTGIRTBXAS1
SCHEMBL8413360 0.86 PTGIR (0.69) PTGIRTBXAS1
SCHEMBL8813301 0.84 PTGIR (0.42) PTGIRTBXAS1TP53CYP19A1CYP11B1
SCHEMBL8411303 0.83 PTGIR (0.65) PTGIRTBXAS1CYP19A1
SCHEMBL8410742 0.79 PTGIR (0.77) PTGIRTBXAS1
SCHEMBL8410884 0.78 PTGIR (0.64) PTGIRTBXAS1
SCHEMBL8814193 0.78 PTGIR (0.64) PTGIR
SCHEMBL8812792 0.78 PTGIR (0.64) PTGIR
SCHEMBL8814201 0.78 PTGIR (0.64) PTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP claimed
EP-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP disclosed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP disclosed