SCHEMBL23706702

SCHEMBL23706702

CCCCCCOP(=O)([O-])OCCCCCC.[Nd+]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.72
CDC25A P30304 2/20 0.72
LMNA P02545 2/20 0.72
ESR1 P03372 1/20 0.72
ADORA3 P0DMS8 1/20 0.72
AGTR1 P30556 1/20 0.72
ADRA1A P35348 1/20 0.72
KCNH2 Q12809 1/20 0.72
LPAR3 Q9UBY5 6/20 0.59
LPAR2 Q9HBW0 5/20 0.59
LPAR1 Q92633 2/20 0.59
TERT O14746 1/20 0.54
UCHL3 P15374 1/20 0.54
MAPK14 Q16539 1/20 0.54
PRKD3 O94806 1/20 0.50
PRKCG P05129 1/20 0.50
PRKCB P05771 1/20 0.50
PRKCA P17252 1/20 0.50
PRKCH P24723 1/20 0.50
PRKCI P41743 1/20 0.50

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
SCHEMBL23706697 1.00 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
SCHEMBL28389033 1.00 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
SCHEMBL28395043 1.00 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
SCHEMBL28395586 0.98 AKT1 (0.69) AKT1CDC25ALMNAESR1ADORA3
SCHEMBL673085 0.95 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
SCHEMBL672040 0.95 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
Potassium Ion SCHEMBL7157363 0.95 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
SCHEMBL672042 0.95 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
SCHEMBL641286 0.95 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
Zinc Ion SCHEMBL1396958 0.95 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021154112-A1 METHOD FOR PRODUCING MODIFIED POLYDIENES ПУБЛИЧНОЕ АКЦИОНЕРНОЕ ОБЩЕСТВО "СИБУР ХОЛДИНГ" (ПАО "СИБУР ХОЛДИНГ") 2021-08-05 WO disclosed
CN-108884271-B Modifier and modified conjugated diene-based polymer containing functional group derived therefrom 株式会社LG化学 2020-07-10 CN disclosed
CN-108884269-B Modified conjugated diene polymer and preparation method thereof 株式会社LG化学 2020-05-19 CN disclosed
CN-107531820-B Catalyst composition for preparing conjugated diene-based polymer and conjugated diene-based polymer prepared using the same LG化学株式会社 2020-05-12 CN disclosed
CN-111133044-A Modified conjugated diene polymer and preparation method thereof 株式会社LG化学 2020-05-08 CN disclosed