SCHEMBL8813595

SCHEMBL8813595

CC(=O)OOc1cccc2c1CCCC2CCc1nc(C(c2ccccc2)c2ccccc2)no1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.45
PKM P14618 1/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
RBP1 P09455 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
KDM4C Q9H3R0 2/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
TBXAS1 P24557 1/20 0.36

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
SCHEMBL8808532 0.92 PTGIR (0.46) PTGIRPKMPOLBNPSR1RBP1
SCHEMBL8413677 0.87 PTGIR (0.46) PTGIRPKMPOLBNPSR1RBP1
SCHEMBL8574945 0.86 PTGIR (0.61) PTGIRPKMPOLBKDM4CTBXAS1
SCHEMBL8413675 0.85 PTGIR (0.51) PTGIRPKMPOLBNPSR1RBP1
SCHEMBL8410934 0.76 PTGIR (0.46) PTGIRSIGMAR1KDM4CTBXAS1
SCHEMBL8808958 0.76 PTGIR (0.46) PTGIRSIGMAR1
SCHEMBL8809390 0.74 PTGIR (0.47) PTGIRSIGMAR1
SCHEMBL8808618 0.74 PTGIR (0.48) PTGIRSIGMAR1
SCHEMBL8811203 0.73 PTGIR (0.42) PTGIRSIGMAR1
SCHEMBL8811966 0.71 PTGIR (0.49) PTGIRSIGMAR1TBXAS1

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 disclosed
US-5589496-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor agonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1996-12-31 US disclosed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP disclosed