SCHEMBL9568056

SCHEMBL9568056

C=C(C(=O)NN(c1ccccc1)c1ccccc1)C1CCCc2[c]cccc21

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.40
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.32
MCL1 Q07820 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
SCHEMBL9568044 0.86 PTGIR (0.40) PTGIRLMNAGAAKDM4EALDH1A1
SCHEMBL9567959 0.82 HTT (0.46) PTGIRLMNAKDM4EALDH1A1HTT
SCHEMBL9568040 0.81 MCL1 (0.35) HTTMCL1
SCHEMBL9047848 0.76 PTGIR (0.43) PTGIRLMNAGAAKDM4EALDH1A1
SCHEMBL8858680 0.76 PTGIR (0.67) PTGIR
SCHEMBL9049152 0.71 PTGIR (0.38) PTGIRLMNAGAA
SCHEMBL8858455 0.71 PTGIR (0.61) PTGIR
SCHEMBL9568031 0.70 MEN1 (0.44) LMNAGAAKDM4EALDH1A1HTT
SCHEMBL10685924 0.68 HTT (0.65) LMNAKDM4EALDH1A1HTT
SCHEMBL7628793 0.64 ALDH1A1 (0.50) GAAKDM4EALDH1A1HTT

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 1 patent. 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 disclosed