SCHEMBL9567988

SCHEMBL9567988

O=C(CCC1CCCc2ccccc21)NOC(c1ccccc1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 3/20 0.47
KDM4C Q9H3R0 6/20 0.46
KDM5A P29375 2/20 0.46
KDM5B Q9UGL1 2/20 0.46
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
TAOK3 Q9H2K8 2/20 0.42
FAAH O00519 1/20 0.41
TBXAS1 P24557 2/20 0.40
CYP19A1 P11511 1/20 0.40
TRPV1 Q8NER1 1/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
UGCG Q16739 1/20 0.38
PTGIR P43119 1/20 0.37

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
SCHEMBL9568047 0.91 TRPV1 (0.44) KDM4CKDM5AKDM5BALDH1A1TRPV1
SCHEMBL9048910 0.85 PTGIR (0.41) TAOK1KDM4CKDM5AKDM5BFAAH
SCHEMBL8858502 0.84 PTGIR (0.60) KDM4CTBXAS1PTGIR
SCHEMBL9568029 0.83 TAOK1 (0.49) TAOK1KDM4CKDM5AKDM5BMEN1
SCHEMBL9568050 0.82 KDM4C (0.47) TAOK1KDM4CKDM5AKDM5BMEN1
SCHEMBL9567986 0.81 UGCG (0.50) KDM4CKDM5AKDM5BALDH1A1TSHR
SCHEMBL9567997 0.77 HPGD (0.48) TAOK1KDM4CKDM5AKDM5BMEN1
SCHEMBL9567963 0.75 ALDH1A1 (0.44) KDM4CKDM5AKDM5BKMT2AALDH1A1
SCHEMBL9568077 0.75 TRPV1 (0.46) TAOK1KDM4CKDM5AKDM5BALDH1A1
SCHEMBL9051691 0.75 PTGIR (0.46) KDM4CPTGIR

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