SCHEMBL31365417

SCHEMBL31365417

C[N+](C)(C)CCOP(=O)([O-])OCCCCCCC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.60
LMNA P02545 2/20 0.60
ESR1 P03372 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
CDC25A P30304 1/20 0.60
AGTR1 P30556 1/20 0.60
ADRA1A P35348 1/20 0.60
KCNH2 Q12809 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.48
PRKD3 O94806 1/20 0.48
PRKCG P05129 1/20 0.48
PRKCB P05771 1/20 0.48
PRKCA P17252 1/20 0.48
PRKCH P24723 1/20 0.48
PRKCI P41743 1/20 0.48
PRKCE Q02156 1/20 0.48
PRKCQ Q04759 1/20 0.48
PRKCZ Q05513 1/20 0.48
PRKCD Q05655 1/20 0.48
PRKD1 Q15139 1/20 0.48

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
SCHEMBL29492658 1.00 AKT1 (0.60) AKT1LMNAESR1ADORA3CDC25A
SCHEMBL25311982 1.00 AKT1 (0.60) AKT1LMNAESR1ADORA3CDC25A
SCHEMBL29492661 0.99 LMNA (0.57) AKT1LMNAESR1ADORA3CDC25A
SCHEMBL29492659 0.99 LMNA (0.57) AKT1LMNAESR1ADORA3CDC25A
SCHEMBL29492654 0.94 AKT1 (0.52) AKT1LMNAESR1ADORA3CDC25A
SCHEMBL29492650 0.88 AKT1 (0.50) AKT1LMNAESR1ADORA3CDC25A
SCHEMBL29492653 0.88 AKT1 (0.50) AKT1LMNAESR1ADORA3CDC25A
SCHEMBL2694596 0.86 LMNA (0.42) AKT1LMNAESR1ADORA3CDC25A
SCHEMBL2696843 0.86 LMNA (0.42) AKT1LMNAESR1ADORA3CDC25A
SCHEMBL339731 0.86 LMNA (0.42) AKT1LMNAESR1ADORA3CDC25A

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
EP-3586142-B1 DETECTION OF MEMBRANE PROTEINS UNIV OXFORD INNOVATION LTD (GB) 2024-12-25 EP claimed