SCHEMBL9048927

SCHEMBL9048927

O=C(O)C(=O)c1cccc2c1CCCC2C(=O)NN(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.43
DRD4 P21917 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
SLC6A5 Q9Y345 1/20 0.32
SRD5A2 P31213 1/20 0.32
P2RX7 Q99572 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL9047848 0.87 PTGIR (0.43) PTGIRLMNAGAATAS1R3TAS1R1
SCHEMBL9049152 0.80 PTGIR (0.38) PTGIRLMNAGAA
SCHEMBL9427205 0.79 PTGIR (0.69) PTGIRKDM4E
SCHEMBL9049008 0.79 LMNA (0.48) DRD4LMNAGAASLC6A5ALDH1A1
SCHEMBL9046465 0.78 PRMT5 (0.41) DRD4SLC6A5P2RX7KDM4E
SCHEMBL9048933 0.78 PTGIR (0.52) PTGIRDRD4
SCHEMBL9046416 0.78 PTGIR (0.70) PTGIRDRD4
SCHEMBL9427118 0.78 PTGIR (0.61) PTGIRKDM4E
SCHEMBL9050555 0.76 NPSR1 (0.47) KDM4EALDH1A1
SCHEMBL9046164 0.76 PTGIR (0.37) PTGIRDRD4

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