SCHEMBL8811201

SCHEMBL8811201

O=C(O)COc1cccc2c1CCCC2=CCC1=CONC=N1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 9/20 0.36
ABCB1 P08183 2/20 0.36
PTGDR Q13258 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
HTR1A P08908 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
PPARD Q03181 2/20 0.33
PPARG P37231 1/20 0.33
ABCC1 P33527 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32

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
SCHEMBL8808742 1.00 PTGIR (0.36) PTGIRABCB1PTGDRSIGMAR1HTR1A
SCHEMBL8414316 0.77 ABCB1 (0.43) PTGIRABCB1PTGDRMRGPRX4ABCC1
SCHEMBL8414317 0.77 ABCB1 (0.43) PTGIRABCB1PTGDRMRGPRX4ABCC1
SCHEMBL8810574 0.77 PPARD (0.37) PTGIRABCB1PTGDRSIGMAR1HTR1A
SCHEMBL8808527 0.77 ABCB1 (0.41) PTGIRABCB1PTGDRSIGMAR1HTR1A
SCHEMBL8414357 0.77 PPARD (0.37) PTGIRABCB1PTGDRSIGMAR1HTR1A
SCHEMBL8413629 0.77 ABCB1 (0.41) PTGIRABCB1PTGDRSIGMAR1HTR1A
SCHEMBL8414266 0.73 PTGIR (0.47) PTGIRPTGDR
SCHEMBL8809301 0.72 PTGIR (0.46) PTGIRPTGDRMRGPRX4PPARDPPARG
SCHEMBL8411187 0.72 PTGIR (0.46) PTGIRPTGDRMRGPRX4PPARDPPARG

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
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
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