SCHEMBL4299694

SCHEMBL4299694

C=C(C)C(=O)OP(=O)([O-])OCC[N+](C)(C)C.C=C(CCCCCCCCCCCCC)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
ESR1 P03372 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CDC25A P30304 1/20 0.52
AGTR1 P30556 1/20 0.52
AKT1 P31749 1/20 0.52
ADRA1A P35348 1/20 0.52
KCNH2 Q12809 1/20 0.52
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
PLA2G1B P04054 1/20 0.47
PLA2G2A P14555 1/20 0.47
NR5A2 O00482 1/20 0.47
NR5A1 Q13285 1/20 0.47
RECQL P46063 1/20 0.47
ADRA1D P25100 1/20 0.47
PTAFR P25105 1/20 0.47
HTR1D P28221 1/20 0.47
HTR2C P28335 1/20 0.47
ADRA1B P35368 1/20 0.47

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
SCHEMBL15158309 0.85 LMNA (0.59) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL3524266 0.83 SMN1; SMN2 (0.48) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL5527468 0.82 LMNA (0.47) LMNAESR1ADORA3CDC25AAGTR1
Ethylene Glycol SCHEMBL15862264 0.79 SMN1; SMN2 (0.48) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL5475887 0.78 LMNA (0.66) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL1643920 0.78 LMNA (0.66) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL14990456 0.77 LMNA (0.64) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL3923049 0.77 LMNA (0.64) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL3502011 0.76 SMN1; SMN2 (0.45) LMNAESR1ADORA3CDC25AAGTR1
Hydrochloric Acid SCHEMBL7058592 0.76 TSHR (0.51) LMNAADRA1AMAPTSMN1; SMN2BLM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090304765-A1 R-RAS ACTIVITY IN VASCULAR REGULATION NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-12-10 US disclosed
EP-1976547-A1 R-RAS ACTIVITY IN VASCULAR REGULATION Vascular Biosciences (US) 2008-10-08 EP disclosed
WO-2007055561-A1 R-RAS ACTIVITY IN VASCULAR REGULATION VASCULAR BIOSCIENCES (US) 2007-05-18 WO disclosed