SCHEMBL18145299

SCHEMBL18145299

CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC.COP(=O)([O-])OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
AKT1 P31749 2/20 0.50
ESR1 P03372 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CDC25A P30304 1/20 0.50
AGTR1 P30556 1/20 0.50
ADRA1A P35348 1/20 0.50
KCNH2 Q12809 1/20 0.50
LSS P48449 1/20 0.43
PRKD3 O94806 1/20 0.42
PRKCG P05129 1/20 0.42
PRKCB P05771 1/20 0.42
PRKCA P17252 1/20 0.42
PRKCH P24723 1/20 0.42
PRKCI P41743 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCZ Q05513 1/20 0.42
PRKCD Q05655 1/20 0.42
PRKD1 Q15139 1/20 0.42

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
SCHEMBL626714 1.00 LMNA (0.50) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL625997 0.98 LMNA (0.47) LMNAAKT1ESR1ADORA3CDC25A
Tributylmethylammonium SCHEMBL241993 0.92 LMNA (0.44) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL34468243 0.89 LMNA (0.59) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL6906059 0.89 LMNA (0.59) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL11365261 0.89 LMNA (0.59) LMNAAKT1ESR1ADORA3CDC25A
Cetrimonium SCHEMBL11365068 0.89 LMNA (0.59) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL11365085 0.89 LMNA (0.59) LMNAAKT1ESR1ADORA3CDC25A
Phosphoric Acid SCHEMBL18298168 0.88 LSS (0.54) LMNAAKT1ESR1ADORA3CDC25A
Phosphoric Acid SCHEMBL29166670 0.88 LSS (0.54) LMNAAKT1ESR1ADORA3CDC25A

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
US-20160304804-A1 METHOD FOR THE PRESERVATION OF A MACHINE ELEMENT AND USE OF AN ANIONIC LIQUID MERCK PATENT GMBH (DE) 2016-10-20 US disclosed