SCHEMBL9048717

SCHEMBL9048717

CNC(=O)C(c1ccccc1)(c1ccccc1)C1CCCc2c(OCC(=O)O)cccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 12/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.45
TBXAS1 P24557 1/20 0.43
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
PPARD Q03181 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9049275 0.94 PTGIR (0.45) PTGIRPTGDR2KDM4EALDH1A1HPGD
SCHEMBL9047031 0.90 PTGIR (0.48) PTGIRPTGDR2TBXAS1LMNALIPG
SCHEMBL9049238 0.84 PTGIR (0.43) PTGIRPTGDR2POLBSMN1; SMN2
SCHEMBL9047440 0.78 PTGIR (0.47) PTGIRPTGDR2TBXAS1LMNAPPARD
SCHEMBL9049212 0.78 PTGIR (0.54) PTGIR
SCHEMBL9050549 0.77 PTGIR (0.46) PTGIRPTGDR2TBXAS1LMNATDP1
SCHEMBL9568035 0.77 HTT (0.45) LMNAALDH1A1SMN1; SMN2
SCHEMBL9047526 0.76 PTGIR (0.45) PTGIRPTGDR2TBXAS1PPARD
SCHEMBL9050877 0.74 PTGIR (0.49) PTGIRPTGDR2TBXAS1LIPG
SCHEMBL16977037 0.74 PTGDR2 (0.55) PTGIRPTGDR2TBXAS1LMNALIPG

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 1 patent. 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