SCHEMBL8808152

SCHEMBL8808152

CC1(C)C=C(N2CCCC2=O)c2cc([S+]([O-])CC(F)(F)F)ccc2O1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ PDK2 Q15119 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
SCHEMBL8810059 0.97 PDE4A (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL8809231 0.87 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DPDK2
SCHEMBL8812180 0.84 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DPDK2
SCHEMBL8810186 0.83 PDE4A (0.34) PDE4APDE4BPDE4CPDE4D
SCHEMBL8810026 0.80 PDE4A (0.34) PDE4APDE4BPDE4CPDE4D
SCHEMBL8811749 0.80 AKR1C3 (0.34) PDE4APDE4BPDE4CPDE4D
SCHEMBL8810775 0.78 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DPDK2
SCHEMBL8807574 0.78 BACE1 (0.37) PDE4APDE4BPDE4CPDE4DPDK2
SCHEMBL8809838 0.78 ALDH1A1 (0.36) PDE4APDE4BPDE4CPDE4DPDK2
SCHEMBL9138225 0.78 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DPDK2

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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