SCHEMBL9049514

SCHEMBL9049514

O=C=C(C1CCc2c(cccc2C(=O)C(=O)O)C1)N(c1ccccc1)c1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.36
SLC18A3 Q16572 2/20 0.33
CCR5 P51681 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TBXAS1 P24557 1/20 0.31
CYP3A4 P08684 2/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL9568061 0.78 PTGIR (0.36) PTGIRSLC18A3
SCHEMBL9427490 0.76 MEN1 (0.39) PTGIRKDM4EALDH1A1MEN1KMT2A
SCHEMBL9050149 0.72 GHSR (0.33) PTGIRCYP3A4
SCHEMBL9426462 0.67 CA1 (0.35) PTGIRKDM4E
SCHEMBL9047804 0.67 PTGIR (0.42) PTGIRTBXAS1
SCHEMBL9048005 0.66 TBXAS1 (0.37) KDM4EALDH1A1TBXAS1HTT
SCHEMBL9047616 0.65 PTGIR (0.43) PTGIR
SCHEMBL9045869 0.65 LMNA (0.51) ALDH1A1MEN1KMT2A
SCHEMBL9049789 0.65 PTGIR (0.41) PTGIRCYP3A4
SCHEMBL9049907 0.65 MTNR1A (0.33) CYP3A4

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