SCHEMBL6293184

SCHEMBL6293184

C=C(C)C(=O)OP(=O)(OCC)C(O)C[N+](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
GALR3 O60755 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL572694 0.79 TSHR (0.33) THRBTSHRCHRM2CHRM4CHRM1
SCHEMBL3623282 0.78 TSHR (0.34) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL6278176 0.77 THRB (0.33) THRBTSHRCYP3A4CYP2C9CYP2C19
SCHEMBL29068293 0.75 THRB (0.36) THRBTSHR
SCHEMBL872244 0.72 THRB (0.41) THRBTSHR
SCHEMBL6028707 0.71 THRB (0.35) THRBTSHRMAPT
SCHEMBL4167475 0.70 TSHR (0.48) THRBTSHRCYP3A4CYP2C9CYP2C19
SCHEMBL3630684 0.70 TSHR (0.48) THRBTSHR
SCHEMBL28815269 0.70 PPARD (0.38) THRBTSHRCHRM2CHRM4CHRM1
SCHEMBL28108844 0.70 TSHR (0.33) THRBTSHRCHRM2CHRM4CHRM1

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