SCHEMBL9568030

SCHEMBL9568030

O=C(CCC1CCCc2ccccc21)N(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
XBP1 P17861 1/20 0.45
HTT P42858 1/20 0.45
PTGIR P43119 1/20 0.44
CYP19A1 P11511 1/20 0.43
TBXAS1 P24557 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
KDM4C Q9H3R0 3/20 0.43
KDM5A P29375 2/20 0.43
KDM5B Q9UGL1 2/20 0.43
HTR6 P50406 1/20 0.43

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
SCHEMBL5623941 0.83 HTR6 (0.51) HTTCYP19A1TBXAS1TRPV1PARP1
SCHEMBL9567967 0.82 TRPV1 (0.44) ALDH1A1XBP1HTTCYP19A1TBXAS1
SCHEMBL1566782 0.80 SIGMAR1 (0.49) ALDH1A1CYP19A1TBXAS1TRPV1PARP1
SCHEMBL9048482 0.80 PTGIR (0.48) PTGIRPARP1PARP2KDM4CHTR6
SCHEMBL10585088 0.79 CYP19A1 (0.48) ALDH1A1CYP19A1TBXAS1TRPV1PARP1
SCHEMBL29114059 0.78 SIGMAR1 (0.50) CYP19A1TBXAS1TRPV1PARP1PARP2
SCHEMBL30658590 0.78 SIGMAR1 (0.50) CYP19A1TBXAS1TRPV1PARP1PARP2
SCHEMBL8858400 0.77 PTGIR (0.75) PTGIRTBXAS1
SCHEMBL9048486 0.77 PTGIR (0.55) PTGIRTBXAS1KDM4C
SCHEMBL9053439 0.76 PTGIR (0.54) PTGIRTBXAS1

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-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP claimed
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP disclosed