SCHEMBL8903512

SCHEMBL8903512

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 3/20 0.78
VDR P11473 2/20 0.78
GRIN1 Q05586 3/20 0.76
GRIN2B Q13224 3/20 0.76
CDC25A P30304 3/20 0.72
POLA1 P09884 1/20 0.72
ABCC1 P33527 1/20 0.69
GPBAR1 Q8TDU6 1/20 0.68
ST6GAL1 P15907 1/20 0.68
HPSE Q9Y251 5/20 0.66
CYP2D6 P10635 1/20 0.65
CYP2C19 P33261 1/20 0.65
INPP5D Q92835 1/20 0.64
CYP46A1 Q9Y6A2 1/20 0.64

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
SCHEMBL25063600 1.00 ABCC4 (0.78) ABCC4VDRGRIN1GRIN2BCDC25A
SCHEMBL8902867 1.00 ABCC4 (0.78) ABCC4VDRGRIN1GRIN2BCDC25A
SCHEMBL23594716 1.00 ABCC4 (0.78) ABCC4VDRGRIN1GRIN2BCDC25A
Ammonia Solution, Strong SCHEMBL30074798 0.99 ABCC4 (0.76) ABCC4VDRGRIN1GRIN2BCDC25A
SCHEMBL13347854 0.91 VDR (0.76) ABCC4VDRGRIN1GRIN2BCDC25A
SCHEMBL13311422 0.91 VDR (0.76) ABCC4VDRGRIN1GRIN2BCDC25A
SCHEMBL17124639 0.91 VDR (0.76) ABCC4VDRGRIN1GRIN2BCDC25A
SCHEMBL8902307 0.90 ST6GAL1 (0.82) ABCC4VDRCDC25APOLA1ST6GAL1
SCHEMBL8902302 0.90 ST6GAL1 (0.82) ABCC4VDRCDC25APOLA1ST6GAL1
SCHEMBL3189894 0.88 ABCC4 (0.78) ABCC4VDRGRIN1GRIN2BABCC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5198432-A Cytoprotective agents CENTER FOR INNOVATIVE TECHNOLOGY (US) 1993-03-30 US claimed
JP-8301767-A None JP disclosed
US-5610180-A TOCOPHEROL AND CHOLESTEROL DERIVATIVES, CYTOPROTECTIVE AGENTS VIRGINIA COMMONWEALTH UNIVERSITY (US) 1997-03-11 US disclosed
US-5610180-A TOCOPHEROL AND CHOLESTEROL DERIVATIVES, CYTOPROTECTIVE AGENTS VIRGINIA COMMONWEALTH UNIVERSITY (US) 1997-03-11 US disclosed
JP-H08301767-A GLYCEROPHOSPHORIC ACID DEHYDROGENASE INHIBITOR NIPPON FLOUR MILLS CO LTD 1996-11-19 JP disclosed
US-5336485-A Administering cholestane phthalates, succinates or sulfates before administering tacrine CENTER FOR INNOVATIVE TECHNOLOGY (US) 1994-08-09 US disclosed
US-5336485-A Administering cholestane phthalates, succinates or sulfates before administering tacrine CENTER FOR INNOVATIVE TECHNOLOGY (US) 1994-08-09 US disclosed
US-5198432-A Cytoprotective agents CENTER FOR INNOVATIVE TECHNOLOGY (US) 1993-03-30 US disclosed
US-5198432-A Cytoprotective agents CENTER FOR INNOVATIVE TECHNOLOGY (US) 1993-03-30 US disclosed