SCHEMBL8811078

SCHEMBL8811078

CC1(C)C=C(N2CCCC2=O)c2cc(OC(F)F)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ KDM4E B2RXH2 10/20 0.35
▸ KLK7 P49862 1/20 0.35
▸ ALDH1A1 P00352 9/20 0.35
▸ GAA P10253 6/20 0.35
▸ HPGD P15428 5/20 0.35
▸ GLA P06280 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HSD11B1 P28845 2/20 0.34
▸ CTSD P07339 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL8809490 0.97 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8809275 0.89 PSEN1 (0.36) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8807651 0.87 PSEN1 (0.41) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8810566 0.86 PSEN1 (0.36) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8809445 0.85 BACE1 (0.35) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8811316 0.85 BACE1 (0.35) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8809060 0.85 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8808216 0.84 PSEN1 (0.41) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9739987 0.84 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8807574 0.82 BACE1 (0.37) PDE4APDE4BPDE4CPDE4DKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0350805-B1 Benzopyran derivatives, processes for their preparation and their use and preparations containing the compounds BEIERSDORF LILLY GMBH (DE) 1997-04-16 — — EP disclosed
US-5096914-A Hypotensive agents BEIERSDORF AKTIENGESELLSCHAFT (DE) 1992-03-17 — — US disclosed
US-5028711-A Hypotensive Agents BEIERSDORF AKTIENGESELLSCHAFT (DE) 1991-07-02 — — US disclosed
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