SCHEMBL8410934

SCHEMBL8410934

CC(=O)Oc1cccc2c1CCCC2CCc1noc(C(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.46
KDM4C Q9H3R0 3/20 0.40
SIGMAR1 Q99720 4/20 0.39
TBXAS1 P24557 1/20 0.39

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
SCHEMBL8410932 0.88 PTGIR (0.61) PTGIRKDM4CTBXAS1
SCHEMBL8808532 0.84 PTGIR (0.46) PTGIRKDM4CSIGMAR1TBXAS1
SCHEMBL8808893 0.82 PTGIR (0.36) PTGIRKDM4C
SCHEMBL8413677 0.77 PTGIR (0.46) PTGIRKDM4CSIGMAR1TBXAS1
SCHEMBL8812584 0.77 MEN1 (0.36) PTGIRSIGMAR1
SCHEMBL8813595 0.76 PTGIR (0.45) PTGIRKDM4CSIGMAR1TBXAS1
SCHEMBL8808475 0.76 PTGIR (0.47) PTGIRSIGMAR1
SCHEMBL8411072 0.76 PTGIR (0.78) PTGIRSIGMAR1
SCHEMBL8808959 0.75 PTGIR (0.47) PTGIRSIGMAR1
SCHEMBL8520475 0.74 PTGIR (0.70) PTGIRKDM4CSIGMAR1TBXAS1

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