SCHEMBL8410707

SCHEMBL8410707

CC(=O)Oc1cccc2c1CCC(Cc1nc(C(c3ccccc3)c3ccccc3)no1)C2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 12/20 0.45
PKM P14618 1/20 0.43
RBP1 P09455 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
TBXAS1 P24557 1/20 0.41
CYP19A1 P11511 1/20 0.40
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL8410703 0.88 PTGIR (0.59) PTGIRTBXAS1
SCHEMBL8412761 0.84 PTGIR (0.48) PTGIRTBXAS1CYP19A1
SCHEMBL8411141 0.84 PTGIR (0.46) PTGIRTBXAS1CYP19A1
SCHEMBL8414344 0.82 PTGIR (0.48) PTGIRTBXAS1CYP19A1
SCHEMBL8413614 0.80 PTGIR (0.45) PTGIRTBXAS1CYP19A1
SCHEMBL8413478 0.80 PTGIR (0.44) PTGIRTBXAS1CYP19A1
SCHEMBL8414352 0.79 PTGIR (0.45) PTGIRTBXAS1CYP19A1
SCHEMBL8410977 0.79 PTGIR (0.48) PTGIRTBXAS1CYP19A1
SCHEMBL8412742 0.76 PTGIR (0.47) PTGIRTBXAS1CYP19A1
SCHEMBL8410748 0.76 TBXAS1 (0.49) PTGIRTBXAS1CYP19A1

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
US-5962439-A CARDIOVASCULAR DISORDER ONO PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US claimed
EP-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP claimed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP claimed
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