SCHEMBL8413629

SCHEMBL8413629

O=C(O)COc1cccc2c1CCCC2=CCc1c[nH]cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.41
SIGMAR1 Q99720 2/20 0.38
HTR1A P08908 1/20 0.38
PTGIR P43119 8/20 0.38
PTGDR Q13258 1/20 0.37
ABCC1 P33527 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
PPARD Q03181 2/20 0.35
PPARG P37231 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34

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
SCHEMBL8808527 1.00 ABCB1 (0.41) ABCB1SIGMAR1HTR1APTGIRPTGDR
SCHEMBL8413631 0.86 ABCB1 (0.43) ABCB1SIGMAR1HTR1AABCC1ABCG2
SCHEMBL8414316 0.80 ABCB1 (0.43) ABCB1PTGIRPTGDRABCC1ABCG2
SCHEMBL8414317 0.80 ABCB1 (0.43) ABCB1PTGIRPTGDRABCC1ABCG2
SCHEMBL8414357 0.78 PPARD (0.37) ABCB1SIGMAR1HTR1APTGIRPTGDR
SCHEMBL8810574 0.78 PPARD (0.37) ABCB1SIGMAR1HTR1APTGIRPTGDR
SCHEMBL8411187 0.77 PTGIR (0.46) PTGIRPTGDRMRGPRX4PPARDPPARG
SCHEMBL8809301 0.77 PTGIR (0.46) PTGIRPTGDRMRGPRX4PPARDPPARG
SCHEMBL8811201 0.77 PTGIR (0.36) ABCB1SIGMAR1HTR1APTGIRPTGDR
SCHEMBL8808742 0.77 PTGIR (0.36) ABCB1SIGMAR1HTR1APTGIRPTGDR

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 8 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
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
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