SCHEMBL13384645

SCHEMBL13384645

C=C(OC)c1ccc2c(c1)C(c1c(Cl)cccc1OC)=CCC2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ PDE4D Q08499 2/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GRIA1 P42261 1/20 0.32
▸ CACNG8 Q8WXS5 1/20 0.32
▸ AR P10275 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
SCHEMBL12389321 0.81 HTR2B (0.44) —
SCHEMBL12389840 0.78 MAPT (0.41) MAPTRAB9ASMN1; SMN2
SCHEMBL12389841 0.77 LMNA (0.45) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL13384432 0.77 AURKA (0.33) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL12365805 0.75 MAPK14 (0.41) HSP90AA1HSP90AB1MAPTRAB9ASMN1; SMN2
SCHEMBL12365045 0.75 IGF1R (0.38) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL12389153 0.74 MAPK14 (0.42) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL12365807 0.74 MAPK14 (0.47) MAPT
SCHEMBL12365049 0.73 LMNA (0.41) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL12389723 0.72 LMNA (0.45) RAB9A

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-2177505-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-21 — — EP disclosed
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