SCHEMBL5075428

SCHEMBL5075428

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

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ST6GAL1 P15907 1/20 0.63
VDR P11473 3/20 0.62
USP2 O75604 1/20 0.62
CDC25A P30304 3/20 0.57
ABCC4 O15439 1/20 0.56
POLA1 P09884 1/20 0.56

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
SCHEMBL26753754 0.86 VDR (0.81) ST6GAL1VDRUSP2CDC25AABCC4
SCHEMBL1276241 0.85 VDR (0.47) ST6GAL1VDRUSP2
SCHEMBL15847914 0.82 VDR (0.64) ST6GAL1VDRUSP2CDC25A
SCHEMBL13707832 0.82 VDR (0.77) ST6GAL1VDRUSP2CDC25AABCC4
SCHEMBL706676 0.80 CDC25A (0.68) ST6GAL1VDRUSP2CDC25APOLA1
SCHEMBL5583690 0.80 CDC25A (0.68) ST6GAL1VDRUSP2CDC25APOLA1
SCHEMBL5583691 0.80 CDC25A (0.68) ST6GAL1VDRUSP2CDC25APOLA1
SCHEMBL24817801 0.80 CDC25A (0.76) ST6GAL1VDRUSP2CDC25AABCC4
SCHEMBL9620139 0.79 VDR (0.62) ST6GAL1VDRUSP2CDC25AABCC4
SCHEMBL7106280 0.79 CDC25A (0.76) ST6GAL1VDRUSP2CDC25AABCC4

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
US-20080085331-A1 Composition and method for raising blood glucose level CRANSHIRE CAPITAL, L.P. 2008-04-10 US disclosed