SCHEMBL9568066

SCHEMBL9568066

CC(=O)N(CCC1CCCc2[c]cccc21)N(c1ccccc1)c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.38
KDM4C Q9H3R0 13/20 0.33
KDM6B O15054 4/20 0.33
KDM5B Q9UGL1 3/20 0.33
KDM4A O75164 1/20 0.33
KDM4B O94953 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
KDM5A P29375 2/20 0.33
PTGIR P43119 3/20 0.33
TBXA2R P21731 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL9045219 0.81 TBXAS1 (0.42) TBXAS1KDM4CKDM6BKDM5BKDM4A
SCHEMBL8858446 0.80 TBXAS1 (0.62) TBXAS1KDM4CPTGIR
SCHEMBL9045227 0.78 TBXAS1 (0.47) TBXAS1KDM4CPTGIR
SCHEMBL9568012 0.74 TAOK1 (0.35) TBXAS1KDM4CKDM6BKDM5BKDM4A
SCHEMBL9567948 0.72 PTGIR (0.35) TBXAS1KDM4CKDM6BKDM5BKDM4A
SCHEMBL8858611 0.64 PTGIR (0.59) TBXAS1KDM4CPTGIR
SCHEMBL9046069 0.64 KDM4C (0.41) TBXAS1KDM4CKDM6BKDM5BKDM4A
SCHEMBL9568154 0.63 CYP19A1 (0.31) TBXAS1
SCHEMBL9048031 0.63 MEN1 (0.39) KDM4CKDM5BKDM5AALDH1A1HTT
SCHEMBL9047648 0.62 PTGIR (0.40) PTGIRALDH1A1TSHR

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