SCHEMBL8411079

SCHEMBL8411079

O=C(O)C(=CCSc1nc(C(c2ccccc2)c2ccccc2)c[nH]1)Oc1cccc2c1CCCC2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.34
RXRB P28702 8/20 0.34
RXRG P48443 5/20 0.34
PTGIR P43119 2/20 0.33
MCL1 Q07820 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL8411095 0.80 RXRA (0.36) RXRARXRBRXRGPTGIRMCL1
SCHEMBL8411221 0.74 RXRA (0.37) RXRARXRBRXRGPTGIRMCL1
SCHEMBL8412763 0.73 RXRA (0.35) RXRARXRBRXRGPTGIRMCL1
SCHEMBL8411183 0.72 RXRA (0.38) RXRARXRBRXRGPTGIRMCL1
SCHEMBL8411093 0.72 PTGIR (0.46) PTGIR
SCHEMBL8815165 0.72 PTGIR (0.52) PTGIR
SCHEMBL8815160 0.72 PTGIR (0.52) PTGIR
SCHEMBL8414037 0.71 RXRA (0.36) RXRARXRBRXRGPTGIRMCL1
SCHEMBL8812035 0.71 PTGIR (0.41) PTGIRPPARG
SCHEMBL8811804 0.71 PTGIR (0.41) PTGIRPPARG

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