SCHEMBL8809602

SCHEMBL8809602

CC1(C)C=C(N2CCCCC2=O)c2cc(S(=O)(=O)C(F)F)ccc2O1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ AKR1C3 P42330 8/20 0.33
▸ LMNA P02545 4/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ HTT P42858 2/20 0.30
▸ USP2 O75604 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL8813241 0.97 LMNA (0.35) PDE4APDE4BPDE4CPDE4DAKR1C3
SCHEMBL27406404 0.86 KDM4E (0.42) PDE4APDE4BPDE4CPDE4DAKR1C3
SCHEMBL8807323 0.86 LMNA (0.36) PDE4APDE4BPDE4CPDE4DAKR1C3
SCHEMBL8807847 0.85 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL8810610 0.84 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL8812750 0.83 AKR1C3 (0.34) PDE4APDE4BPDE4CPDE4DAKR1C3
SCHEMBL8809838 0.82 ALDH1A1 (0.36) PDE4APDE4BPDE4CPDE4DAKR1C3
SCHEMBL8810026 0.81 PDE4A (0.34) PDE4APDE4BPDE4CPDE4D
SCHEMBL8808215 0.80 PDE4A (0.35) PDE4APDE4BPDE4CPDE4D
SCHEMBL8809490 0.80 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DSMN1; SMN2

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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