SCHEMBL8412769

SCHEMBL8412769

O=C(O)COc1cccc2c1CCCC2CCn1cnc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 10/20 0.59
TBXAS1 P24557 1/20 0.51
PTGS2 P35354 3/20 0.44
SIGMAR1 Q99720 1/20 0.41
PTGDR Q13258 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
FRK P42685 1/20 0.40
MAPK9 P45984 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
GSK3B P49841 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
MAP4K5 Q9Y4K4 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
SCHEMBL8411232 0.91 PTGIR (0.49) PTGIRTBXAS1SIGMAR1
SCHEMBL8811301 0.88 PTGIR (0.46) PTGIRPTGS2SIGMAR1
SCHEMBL8411234 0.87 PTGIR (0.46) PTGIRPTGS2SIGMAR1
SCHEMBL8812547 0.87 PTGIR (0.44) PTGIRPTGS2SIGMAR1
SCHEMBL8809968 0.80 PTGIR (0.59) PTGIRPTGDR
SCHEMBL8414273 0.79 PTGIR (0.55) PTGIRTBXAS1SIGMAR1
SCHEMBL9155513 0.78 PTGIR (0.69) PTGIRTBXAS1SIGMAR1PTGDR2
SCHEMBL9155480 0.77 PTGIR (0.68) PTGIRTBXAS1SIGMAR1PTGDR2
SCHEMBL8858587 0.76 PTGIR (0.72) PTGIRTBXAS1SIGMAR1PTGDR2
SCHEMBL8410702 0.76 PTGIR (0.60) PTGIRTBXAS1SIGMAR1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962439-A CARDIOVASCULAR DISORDER ONO PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5849919-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor anonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed
EP-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP disclosed
US-5589496-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor agonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1996-12-31 US disclosed
US-5389666-A Administering for treatment and prevention of thrombosis, arteriosclerosis, ischemic heart diseases, gastric ulcer or hypertension ONO PHARMACEUTICAL CO., LTD. (JP) 1995-02-14 US disclosed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP disclosed