SCHEMBL7207668

SCHEMBL7207668

CC(C)c1[c]c(C(C)C)c(C(=O)CC2CCCCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

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
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
EPHX2 P34913 3/20 0.35
EPHX1 P07099 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7207672 0.74 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DEPHX2
SCHEMBL14785026 0.65 HSP90AB1 (0.53)
SCHEMBL15590810 0.64 NPC1 (0.53) EPHX2
SCHEMBL18323761 0.64 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL11656204 0.64 MEN1 (0.41) GABRA1GABRB2L3MBTL1
SCHEMBL6245720 0.64 MEN1 (0.49)
SCHEMBL5280798 0.63 EPHX2 (0.47) GABRA1GABRB2EPHX2
SCHEMBL12231465 0.63 HSP90AB1 (0.54)
SCHEMBL16840172 0.63 ERCC1 (0.38) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL27557452 0.62 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DEPHX2

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-0841913-B1 USE OF SULFAMIC ACID DERIVATIVES, ACYL SULFONAMIDES OR SULFONYL CARBAMATES FOR THE MANUFACTURE OF A MEDICAMENT FOR LOWERING LIPOPROTEIN LEVELS WARNER LAMBERT CO (US) 2003-02-05 EP claimed