SCHEMBL17833008

SCHEMBL17833008

CCCCCCCCC[C@H]1CC[C@H](OP(=O)(OC)OCC[PH](C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.36
TERT O14746 1/20 0.36
UCHL3 P15374 1/20 0.36
MAPK14 Q16539 1/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.31
NAAA Q02083 1/20 0.31
PLCG2 P16885 1/20 0.31
PIK3R1 P27986 1/20 0.31
AKT2 P31751 1/20 0.31
PIK3CA P42336 1/20 0.31
AKT3 Q9Y243 1/20 0.31
GAB1 Q13480 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL17817196 1.00 AKT1 (0.36) AKT1TERTUCHL3MAPK14CYP3A4
SCHEMBL17817018 0.90 TERT (0.39) AKT1TERTUCHL3MAPK14CYP3A4
SCHEMBL23016756 0.90 TERT (0.39) AKT1TERTUCHL3MAPK14CYP3A4
SCHEMBL24104635 0.85 AKT1 (0.37) AKT1TERTUCHL3MAPK14MEN1
SCHEMBL17817658 0.85 AKT1 (0.37) AKT1TERTUCHL3MAPK14MEN1
SCHEMBL17817021 0.79 CYP3A4 (0.42) AKT1TERTUCHL3MAPK14CYP3A4
SCHEMBL9485449 0.72 S1PR1 (0.43) AKT1TERTUCHL3MAPK14MEN1
SCHEMBL9485299 0.72 S1PR1 (0.43) AKT1TERTUCHL3MAPK14MEN1
SCHEMBL17832987 0.72 AKT1 (0.40) AKT1TERTUCHL3MAPK14MEN1
SCHEMBL17817223 0.72 AKT1 (0.54) AKT1TERTUCHL3MAPK14CYP3A4

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
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed