SCHEMBL2355170

SCHEMBL2355170

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
ESR1 P03372 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CDC25A P30304 1/20 0.37
AGTR1 P30556 1/20 0.37
AKT1 P31749 1/20 0.37
ADRA1A P35348 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PLA2G1B P04054 1/20 0.36
PLA2G2A P14555 1/20 0.36
NR5A2 O00482 1/20 0.36
NR5A1 Q13285 1/20 0.36
ADRA1D P25100 1/20 0.35
PTAFR P25105 1/20 0.35
HTR1D P28221 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1B P35368 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL2363443 0.85 CHRM5 (0.34) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL4299694 0.74 LMNA (0.52) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL7161305 0.73 SLC25A20 (0.34) LMNAMAPTFABP3MAPK1MEN1
Bromide SCHEMBL1782654 0.72 TSHR (0.49) LMNAADRA1AMAPTSMN1; SMN2BLM
SCHEMBL25398870 0.71 SMN1; SMN2 (0.39) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL9067782 0.70 TSHR (0.42) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL4965117 0.69 CYP3A4 (0.55) CYP3A4
SCHEMBL27991507 0.68 TSHR (0.36) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL15158309 0.68 LMNA (0.59) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL6666152 0.68 FABP3 (0.52) LMNAESR1ADORA3CDC25AAGTR1

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-1846010-B1 EXTERNAL SKIN AGENT COMPRISING MODIFIED CLAY FOR PREVENTING INFLAMMATION POLA CHEM IND INC (JP) 2011-08-03 EP claimed