SCHEMBL17832986

SCHEMBL17832986

COP(=O)(O)OCCCCCCCCCCCCCCCCOP(=O)(OC)OCC[N+](C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
AKT1 P31749 2/20 0.47
ESR1 P03372 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CDC25A P30304 1/20 0.47
AGTR1 P30556 1/20 0.47
ADRA1A P35348 1/20 0.47
KCNH2 Q12809 1/20 0.47
FABP3 P05413 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCH P24723 1/20 0.38
PRKCI P41743 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCZ Q05513 1/20 0.38
PRKCD Q05655 1/20 0.38

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
SCHEMBL17817441 0.90 LMNA (0.56) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL1654879 0.86 SMN1; SMN2 (0.42) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL17833014 0.84 LMNA (0.58) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL13619237 0.84 LMNA (0.58) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL23016765 0.83 LMNA (0.68) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL19089460 0.83 LMNA (0.68) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL18970789 0.83 LMNA (0.68) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL19089198 0.83 LMNA (0.68) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL26032527 0.83 BBOX1 (0.47) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL17817502 0.80 CYP3A4 (0.57) 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
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed