SCHEMBL2496466

SCHEMBL2496466

CCCC(Nc1ccc([N+](=O)[O-])c2nonc12)[C@@]1(C)C(=O)CC[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ST6GAL1 P15907 7/20 0.52
ST3GAL1 Q11201 2/20 0.52
ST3GAL3 Q11203 1/20 0.51
FNTA P49354 2/20 0.45
FNTB P49356 2/20 0.45
SRD5A1 P18405 7/20 0.42
SRD5A2 P31213 3/20 0.42
USP2 O75604 1/20 0.39
ATIC P31939 1/20 0.39
CDC25A P30304 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL1310798 0.78 FNTA (0.53) ST6GAL1ST3GAL1ST3GAL3FNTAFNTB
SCHEMBL16505506 0.71 FNTA (0.45) ST6GAL1ST3GAL1ST3GAL3FNTAFNTB
SCHEMBL1310805 0.71 FNTA (0.45) ST6GAL1ST3GAL1ST3GAL3FNTAFNTB
SCHEMBL13262135 0.71 FNTA (0.45) ST6GAL1ST3GAL1ST3GAL3FNTAFNTB
SCHEMBL12115312 0.71 FNTA (0.45) ST6GAL1ST3GAL1ST3GAL3FNTAFNTB
SCHEMBL1310949 0.70 ST6GAL1 (0.43) ST6GAL1ST3GAL1ST3GAL3FNTAFNTB
SCHEMBL2448736 0.69 NPC1L1 (0.55) ST6GAL1ST3GAL1ST3GAL3USP2ATIC
SCHEMBL20480236 0.69 ST6GAL1 (0.75) ST6GAL1ST3GAL1ST3GAL3USP2
SCHEMBL20480234 0.69 ST6GAL1 (0.75) ST6GAL1ST3GAL1ST3GAL3USP2
SCHEMBL1311793 0.69 FNTA (0.81) FNTAFNTBSRD5A1SRD5A2USP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370071-A1 NOVEL OXIME DERIVATIVES OF 3,5-SECO-4-NOR-CHOLESTANE, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHOD FOR PREPARING SAME Trophos (FR) 2011-10-05 EP disclosed
WO-2010076418-A1 NOVEL OXIME DERIVATIVES OF 3,5-SECO-4-NOR-CHOLESTANE, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHOD FOR PREPARING SAME TROPHOS (FR) 2010-07-08 WO disclosed