SCHEMBL17124639

SCHEMBL17124639

CC(C)CCCC(C)C1CCC2C3CCC4CC(OS(C)(=O)=O)CCC4(C)C3CCC12C

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.76
CDC25A P30304 3/20 0.70
POLA1 P09884 1/20 0.70
ST6GAL1 P15907 3/20 0.69
CYP2D6 P10635 1/20 0.66
CYP2C19 P33261 1/20 0.66
INPP5D Q92835 1/20 0.65
ABCC4 O15439 1/20 0.65
GRIN1 Q05586 1/20 0.61
GRIN2B Q13224 1/20 0.61
FGF1 P05230 7/20 0.61
HPSE Q9Y251 7/20 0.61
FGF2 P09038 6/20 0.59

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
SCHEMBL13347854 1.00 VDR (0.76) VDRCDC25APOLA1ST6GAL1CYP2D6
SCHEMBL13311422 1.00 VDR (0.76) VDRCDC25APOLA1ST6GAL1CYP2D6
SCHEMBL8902867 0.91 ABCC4 (0.78) VDRCDC25APOLA1ST6GAL1CYP2D6
SCHEMBL8902302 0.91 ST6GAL1 (0.82) VDRCDC25APOLA1ST6GAL1CYP2D6
SCHEMBL23594716 0.91 ABCC4 (0.78) VDRCDC25APOLA1ST6GAL1CYP2D6
SCHEMBL25063600 0.91 ABCC4 (0.78) VDRCDC25APOLA1ST6GAL1CYP2D6
SCHEMBL8902307 0.91 ST6GAL1 (0.82) VDRCDC25APOLA1ST6GAL1CYP2D6
SCHEMBL8903512 0.91 ABCC4 (0.78) VDRCDC25APOLA1ST6GAL1CYP2D6
Ammonia Solution, Strong SCHEMBL30074798 0.90 ABCC4 (0.76) VDRCDC25APOLA1ST6GAL1CYP2D6
SCHEMBL18195977 0.90 CDC25A (0.65) VDRCDC25APOLA1ST6GAL1CYP2D6

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-9505981-B2 Liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display device CHI MEI CORPORATION (TW) 2016-11-29 US disclosed
US-20150274969-A1 LIQUID CRYSTAL ALIGNMENT AGENT AND USES THEREOF CHI MEI CORPORATION (TW) 2015-10-01 US disclosed