SCHEMBL9845465

SCHEMBL9845465

CC[C@H](CC[C@@H](C)[C@H]1CCC2C3CCC4C[C@@H](OC(=O)CCCO)CC[C@]4(C)C3CC[C@@]21C)C(C)C

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 3/20 0.60
▸ USP2 O75604 1/20 0.60
▸ ST6GAL1 P15907 1/20 0.56
▸ CDC25A P30304 2/20 0.55
▸ ABCC4 O15439 1/20 0.54
▸ POLA1 P09884 1/20 0.54

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
SCHEMBL7620127 1.00 VDR (0.60) VDRUSP2ST6GAL1CDC25AABCC4
SCHEMBL9845487 0.97 VDR (0.59) VDRUSP2ST6GAL1CDC25AABCC4
SCHEMBL7619068 0.95 VDR (0.62) VDRUSP2ST6GAL1ABCC4
SCHEMBL9845490 0.94 VDR (0.61) VDRUSP2ST6GAL1CDC25AABCC4
SCHEMBL4737575 0.94 VDR (0.61) VDRUSP2ST6GAL1CDC25AABCC4
SCHEMBL4737581 0.94 VDR (0.61) VDRUSP2ST6GAL1CDC25AABCC4
SCHEMBL3914925 0.93 VDR (0.60) VDRUSP2ST6GAL1CDC25AABCC4
SCHEMBL4735814 0.93 VDR (0.60) VDRUSP2ST6GAL1CDC25AABCC4
SCHEMBL4782232 0.92 VDR (0.59) VDRUSP2ST6GAL1CDC25AABCC4
SCHEMBL4735795 0.92 VDR (0.59) VDRUSP2ST6GAL1CDC25AABCC4

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-0430078-A2 Steroids F. HOFFMANN-LA ROCHE AG (CH) 1991-06-05 — — EP disclosed
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