SCHEMBL8413675

SCHEMBL8413675

COC(=O)COc1cccc2c1CCCC2CCc1nc(C(c2ccccc2)c2ccccc2)no1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.51
TBXAS1 P24557 1/20 0.42
POLB P06746 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KDM4C Q9H3R0 3/20 0.39
RBP1 P09455 1/20 0.39
PKM P14618 1/20 0.38
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37

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
SCHEMBL8574945 0.92 PTGIR (0.61) PTGIRTBXAS1POLBKDM4CPKM
SCHEMBL8413677 0.88 PTGIR (0.46) PTGIRTBXAS1POLBSIGMAR1NPSR1
SCHEMBL8808532 0.87 PTGIR (0.46) PTGIRTBXAS1POLBSIGMAR1NPSR1
SCHEMBL8813595 0.85 PTGIR (0.45) PTGIRTBXAS1POLBSIGMAR1NPSR1
SCHEMBL8410932 0.77 PTGIR (0.61) PTGIRTBXAS1KDM4C
SCHEMBL8411209 0.76 PTGIR (0.56) PTGIRTBXAS1SIGMAR1
SCHEMBL8577075 0.76 PTGIR (0.64) PTGIRTBXAS1SIGMAR1KDM4C
SCHEMBL8413684 0.75 PTGIR (0.57) PTGIRTBXAS1SIGMAR1
SCHEMBL8414245 0.75 PTGIR (0.57) PTGIRSIGMAR1HTR1AADRA1DADRA1A
SCHEMBL8414212 0.74 PTGIR (0.52) PTGIRTBXAS1SIGMAR1

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-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