SCHEMBL8811749

SCHEMBL8811749

CC1(C)C=C(N2CCCC2=O)c2cc(S(=O)(=O)CC(F)(F)F)ccc2O1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 9/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TP53 P04637 4/20 0.33
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ USP2 O75604 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
SCHEMBL8812750 0.97 AKR1C3 (0.34) AKR1C3SMN1; SMN2LMNATP53PDE4A
SCHEMBL8809838 0.87 ALDH1A1 (0.36) AKR1C3SMN1; SMN2LMNATP53PDE4A
SCHEMBL8807323 0.84 LMNA (0.36) AKR1C3SMN1; SMN2LMNAPDE4APDE4B
SCHEMBL8813241 0.83 LMNA (0.35) AKR1C3SMN1; SMN2LMNATP53PDE4A
SCHEMBL27406404 0.81 KDM4E (0.42) AKR1C3SMN1; SMN2LMNAPDE4APDE4B
SCHEMBL8809602 0.80 PDE4A (0.34) AKR1C3SMN1; SMN2LMNAPDE4APDE4B
SCHEMBL8808152 0.80 PDE4A (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL8807574 0.79 BACE1 (0.37) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL8810775 0.79 PDE4A (0.34) PDE4APDE4BPDE4CPDE4D
SCHEMBL9138225 0.79 PDE4A (0.34) LMNAPDE4APDE4BPDE4CPDE4D

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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