SCHEMBL9047440

SCHEMBL9047440

CNC(=O)CC(c1ccc(C)cc1)(c1ccc(C)cc1)C1CCCc2c(OCC(=O)O)cccc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 10/20 0.47
LMNA P02545 2/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.39
TBXAS1 P24557 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARD Q03181 2/20 0.35

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
SCHEMBL9050549 0.92 PTGIR (0.46) PTGIRLMNAPTGDR2TBXAS1PPARD
SCHEMBL9047526 0.91 PTGIR (0.45) PTGIRPTGDR2TBXAS1MEN1KMT2A
SCHEMBL9048717 0.78 PTGIR (0.50) PTGIRLMNAPTGDR2TBXAS1PPARD
SCHEMBL9047031 0.72 PTGIR (0.48) PTGIRLMNAPTGDR2TBXAS1
SCHEMBL9049275 0.71 PTGIR (0.45) PTGIRPTGDR2
SCHEMBL10357321 0.71 CA1 (0.49) PTGIRLMNAPTGDR2MEN1KMT2A
SCHEMBL16977037 0.70 PTGDR2 (0.55) PTGIRLMNAPTGDR2TBXAS1
SCHEMBL10550905 0.70 PTGIR (0.52) PTGIRPTGDR2TBXAS1MEN1KMT2A
SCHEMBL9045328 0.70 PTGIR (0.64) PTGIRLMNAPTGDR2TBXAS1MEN1
SCHEMBL1838402 0.69 PTGIR (0.56) PTGIRPTGDR2TBXAS1

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