SCHEMBL9185693

SCHEMBL9185693

CCC[C@@H](C)[C@H]1CCC2C3CCC4CC(OC(=O)Oc5ccccc5S(=O)(=O)O)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.54
ABCC4 O15439 2/20 0.54
USP2 O75604 1/20 0.53
CDC25A P30304 1/20 0.52
GRIN1 Q05586 1/20 0.51
GRIN2B Q13224 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ST6GAL1 P15907 1/20 0.50
ABCC1 P33527 1/20 0.49

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
SCHEMBL9620139 0.87 VDR (0.62) VDRABCC4USP2CDC25AST6GAL1
SCHEMBL297427 0.86 VDR (0.55) VDRABCC4USP2CDC25AGRIN1
SCHEMBL9726311 0.84 CA1 (0.45) VDRABCC4USP2CDC25AGRIN1
SCHEMBL5694504 0.80 VDR (0.60) VDRABCC4USP2CDC25AGRIN1
SCHEMBL9456289 0.79 VDR (0.59) VDRABCC4USP2CDC25AGRIN1
SCHEMBL9726287 0.79 VDR (0.59) VDRABCC4USP2CDC25AST6GAL1
SCHEMBL26753754 0.79 VDR (0.81) VDRABCC4USP2CDC25AST6GAL1
SCHEMBL15847914 0.75 VDR (0.64) VDRUSP2CDC25AST6GAL1
SCHEMBL13707832 0.75 VDR (0.77) VDRABCC4USP2CDC25AST6GAL1
SCHEMBL5075428 0.74 ST6GAL1 (0.63) VDRABCC4USP2CDC25AST6GAL1

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-0405628-B1 Polymeric electrolyte-hydrogen peroxide adducts UNILEVER NV (NL) 1995-08-16 EP disclosed
US-5030380-A Bleaching LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1991-07-09 US disclosed
EP-0405628-A2 Polymeric electrolyte-hydrogen peroxide adducts UNILEVER N.V. (NL) 1991-01-02 EP disclosed