SCHEMBL6293186

SCHEMBL6293186

C=C(C)C(=O)OC(C)O[PH](=O)OCC[N+](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.35
CHRM5 P08912 4/20 0.35
CHRM3 P20309 4/20 0.35
CHRM2 P08172 4/20 0.35
CHRM4 P08173 4/20 0.35
HTR1A P08908 2/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNA7 P36544 2/20 0.35
CHRNA4 P43681 2/20 0.35
TBXA2R P21731 2/20 0.35
PGR P06401 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRNA10 Q9GZZ6 1/20 0.35
CHRNA9 Q9UGM1 1/20 0.35
GALR3 O60755 2/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 3/20 0.33

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
SCHEMBL572696 0.79 CHRM1 (0.37) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL14989094 0.79 TSHR (0.41) TSHRTHRB
SCHEMBL6278177 0.79 THRB (0.46) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL28041832 0.79 CHRM1 (0.41) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL2022215 0.79 CHRM5 (0.41) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL28508063 0.77 CHRM1 (0.35) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL28643330 0.74 CHRM5 (0.40) CHRM1CHRM5CHRM3CHRM2CHRM4
Phosphoric Acid SCHEMBL28543880 0.74 CHRM1 (0.37) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL7593395 0.74 CHRM1 (0.37) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL28874164 0.74 TSHR (0.46) CHRM1CHRM5CHRM3CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2005068115-A STABLE EXTERNAL PREPARATION FOR SKIN POLA CHEM IND INC 2005-03-17 JP disclosed
JP-2004196665-A COSMETIC WITH SUPPRESSED STINGING POLA CHEM IND INC 2004-07-15 JP disclosed
JP-2003192525-A SKIN CARE PREPARATION COMPRISING PSEUDOBIOLOGICAL POLYMER AND SPHINGOSINE ANALOG POLA CHEM IND INC 2003-07-09 JP disclosed
JP-2002326920-A EMULSION COMPOSITION POLA CHEM IND INC 2002-11-15 JP disclosed