SCHEMBL9050149

SCHEMBL9050149

CCN(C(=C=O)C1CCc2c(cccc2C(=O)C(=O)O)C1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.33
PTGIR P43119 3/20 0.32
DRD2 P14416 6/20 0.32
DRD1 P21728 3/20 0.32
DRD3 P35462 3/20 0.32
DRD4 P21917 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
LMNA P02545 1/20 0.32
PMP22 Q01453 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ACHE P22303 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
SCHEMBL9427490 0.79 MEN1 (0.39) PTGIRDRD2DRD1DRD3DRD4
SCHEMBL9046598 0.73 POLB (0.41) GHSRPTGIR
SCHEMBL9045869 0.72 LMNA (0.51) LMNA
SCHEMBL9049907 0.71 MTNR1A (0.33) GHSRDRD2DRD1DRD3CYP1A2
SCHEMBL9048633 0.69 PTGIR (0.38) GHSRPTGIRLMNA
SCHEMBL9049796 0.67 PTGIR (0.43) PTGIR
SCHEMBL9427232 0.66 PTGIR (0.36) PTGIRDRD2DRD3
SCHEMBL9049412 0.66 ALDH1A1 (0.39) PTGIRCA1CA2ACHE
SCHEMBL9048134 0.65 PTGIR (0.45) PTGIR
SCHEMBL9048118 0.65 PTGIR (0.36) PTGIRDRD2DRD3CA1CA2

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
EP-0542203-B1 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO (JP) 1996-07-03 EP claimed
US-5344836-A Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US claimed