SCHEMBL9620139

SCHEMBL9620139

CCC[C@@H](C)[C@H]1CCC2C3CCC4CC(OC(=O)Oc5ccccc5)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.62
USP2 O75604 1/20 0.62
CDC25A P30304 3/20 0.59
ST6GAL1 P15907 1/20 0.58
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
SCHEMBL9456289 0.92 VDR (0.59) VDRUSP2CDC25AST6GAL1ABCC4
SCHEMBL297427 0.90 VDR (0.55) VDRUSP2CDC25AST6GAL1ABCC4
SCHEMBL9726287 0.90 VDR (0.59) VDRUSP2CDC25AST6GAL1ABCC4
SCHEMBL5694504 0.88 VDR (0.60) VDRUSP2CDC25AST6GAL1ABCC4
SCHEMBL9185693 0.87 VDR (0.54) VDRUSP2CDC25AST6GAL1ABCC4
SCHEMBL26753754 0.84 VDR (0.81) VDRUSP2CDC25AST6GAL1ABCC4
SCHEMBL3698541 0.81 USP2 (0.56) VDRUSP2ST6GAL1
SCHEMBL9856712 0.80 VDR (0.47) VDRUSP2CDC25AST6GAL1ABCC4
SCHEMBL15847914 0.80 VDR (0.64) VDRUSP2CDC25AST6GAL1
SCHEMBL6742962 0.80 CDC25A (0.72) VDRUSP2CDC25AST6GAL1ABCC4

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
US-5175333-A Bleach percursors LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1992-12-29 US disclosed
EP-0475513-A1 Process for preparing quaternary ammonium carbonate esters UNILEVER N.V. (NL) 1992-03-18 EP disclosed