SCHEMBL9497631

SCHEMBL9497631

CCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)CCO

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.69
AKT1 P31749 2/20 0.69
ESR1 P03372 1/20 0.69
ADORA3 P0DMS8 1/20 0.69
CDC25A P30304 1/20 0.69
AGTR1 P30556 1/20 0.69
ADRA1A P35348 1/20 0.69
KCNH2 Q12809 1/20 0.69
DNM1 Q05193 2/20 0.51
PRKD3 O94806 1/20 0.51
PRKCG P05129 1/20 0.51
PRKCB P05771 1/20 0.51
PRKCA P17252 1/20 0.51
PRKCH P24723 1/20 0.51
PRKCI P41743 1/20 0.51
PRKCE Q02156 1/20 0.51
PRKCQ Q04759 1/20 0.51
PRKCZ Q05513 1/20 0.51
PRKCD Q05655 1/20 0.51
PRKD1 Q15139 1/20 0.51

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
SCHEMBL29814497 0.89 LMNA (0.76) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL11365108 0.85 LMNA (0.75) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL29465558 0.82 LMNA (1.00) LMNAAKT1ESR1ADORA3CDC25A
Miltefosine SCHEMBL20769827 0.82 LMNA (1.00) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL4166195 0.82 LMNA (1.00) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL24786271 0.82 LMNA (0.65) LMNAAKT1ESR1ADORA3CDC25A
Tetradecylphosphocholine SCHEMBL5481590 0.82 LMNA (1.00) LMNAAKT1ESR1ADORA3CDC25A
Octadecylphosphonocholine SCHEMBL744376 0.82 LMNA (1.00) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL10415264 0.82 LMNA (1.00) LMNAAKT1ESR1ADORA3CDC25A
Miltefosine SCHEMBL26215 0.82 LMNA (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347930-B1 METALLIC PIGMENT COMPOSITION NIPPON PAINT CO., LTD. (JP) 1993-04-07 EP claimed
US-5011533-A Treated with a phosphite or a phosphobetaine; waterbase coating NIPPON PAINT CO., LTD. (JP) 1991-04-30 US claimed
EP-0347930-A2 Metallic pigment composition NIPPON PAINT CO., LTD. (JP) 1989-12-27 EP claimed
EP-0347930-B1 METALLIC PIGMENT COMPOSITION NIPPON PAINT CO., LTD. (JP) 1993-04-07 EP disclosed
US-5011533-A Treated with a phosphite or a phosphobetaine; waterbase coating NIPPON PAINT CO., LTD. (JP) 1991-04-30 US disclosed