SCHEMBL8522163

SCHEMBL8522163

C[N+](C)(C)CCOP(=O)(O)OCCCCCCS

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
▸ FABP3 P05413 1/20 0.43
▸ LPAR3 Q9UBY5 3/20 0.39
▸ LPAR1 Q92633 2/20 0.39
▸ LPAR2 Q9HBW0 2/20 0.39
▸ BBOX1 O75936 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ PRKCG P05129 1/20 0.37
▸ PRKCB P05771 1/20 0.37
▸ PRKCA P17252 1/20 0.37
▸ PRKCH P24723 1/20 0.37
▸ PRKCI P41743 1/20 0.37

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
SCHEMBL17833014 0.91 LMNA (0.58) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL13619237 0.91 LMNA (0.58) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL14447829 0.84 LMNA (0.70) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL60426 0.84 LMNA (0.70) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL14447974 0.84 LMNA (0.70) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL5707895 0.84 LMNA (0.70) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL905581 0.84 LMNA (0.70) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL60848 0.84 LMNA (0.70) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL14447816 0.84 LMNA (0.70) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL2693659 0.84 LMNA (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0637309-B1 METAL COATINGS BIOCOMPATIBLES LTD (GB) 1999-03-31 — — EP disclosed
US-5556710-A METAL COATINGS TO RENDER SURFACES BIOCOMPATIBLE BIOCOMPATIBLES LIMITED (GB) 1996-09-17 — — US disclosed
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