SCHEMBL9567967

SCHEMBL9567967

O=C(CCC1CCCc2ccccc21)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
KDM4C Q9H3R0 3/20 0.44
KDM5A P29375 2/20 0.44
KDM5B Q9UGL1 2/20 0.44
EPHX2 P34913 2/20 0.44
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
XBP1 P17861 1/20 0.43
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
CYP19A1 P11511 1/20 0.42
TBXAS1 P24557 1/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL9567965 0.87 KDM4C (0.48) KDM4CKDM5AKDM5BEPHX2HTT
SCHEMBL9568030 0.82 ALDH1A1 (0.45) TRPV1KDM4CKDM5AKDM5BHTT
SCHEMBL5623941 0.81 HTR6 (0.51) TRPV1KDM4CKDM5AKDM5BHTT
SCHEMBL9048014 0.81 PTGIR (0.43) KDM4CHTTALDH1A1
SCHEMBL1566782 0.78 SIGMAR1 (0.49) TRPV1ALDH1A1PARP1PARP2CYP19A1
SCHEMBL9048020 0.78 PTGIR (0.67) KDM4CTBXAS1
SCHEMBL9048016 0.78 PTGIR (0.48) KDM4CTBXAS1
SCHEMBL10585088 0.77 CYP19A1 (0.48) TRPV1KDM4CKDM5AKDM5BALDH1A1
SCHEMBL9568094 0.76 MEN1 (0.49) EPHX2HTTALDH1A1XBP1
SCHEMBL29114059 0.76 SIGMAR1 (0.50) TRPV1KDM4CKDM5AKDM5BPARP1

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