SCHEMBL3945787

SCHEMBL3945787

CC(=O)OC(OC(C)=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALOX15 P16050 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GALR3 O60755 1/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
LMNA P02545 2/20 0.35
FFAR3 O14843 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
CYP3A4 P08684 1/20 0.34
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL15282641 0.83 TSHR (0.37) TSHRALOX15CHRM2CHRM4CHRM1
SCHEMBL27639915 0.78 TSHR (0.53) TSHRALOX15CHRM2CHRM4CHRM1
SCHEMBL1654095 0.78 TSHR (0.53) TSHRALOX15CHRM2CHRM4CHRM1
SCHEMBL15282844 0.77 LMNA (0.47) TSHRALDH1A1MAPTBLMLMNA
SCHEMBL18915971 0.77
SCHEMBL10012590 0.77 TSHR (0.36) TSHR
SCHEMBL1442538 0.75 TSHR (0.50) TSHRALOX15CHRM2CHRM4CHRM1
SCHEMBL255602 0.75 TSHR (0.50) TSHRALOX15CHRM2CHRM4CHRM1
SCHEMBL13849512 0.75 TSHR (0.50) TSHRALOX15CHRM2CHRM4CHRM1
SCHEMBL7092944 0.75 TSHR (0.50) TSHRALOX15CHRM2CHRM4CHRM1

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
EP-0196271-B1 ESTRADIOL AND/OR ESTRIOL GLYCOLIC-ACID ESTERS SCHERING AKTIENGESELLSCHAFT (DE) 1989-02-08 EP claimed
EP-2138054-A1 Plant extract for the prevention or treatment of snoring and/or sleep apnoea Cariel, Léon (FR) 2009-12-30 EP disclosed
EP-1684740-A1 PHENYLPROPANOIC DERIVATIVES AND COMPOSITIONS CONTAINING SAME, WHICH STIMULATE LIBIDO AND THE ASSOCIATED PHYSIOLOGICAL MECHANISMS Lmd (FR) 2006-08-02 EP disclosed
WO-2005044253-A1 PHENYLPROPANOIC DERIVATIVES AND COMPOSITIONS CONTAINING SAME, WHICH STIMULATE LIBIDO AND THE ASSOCIATED PHYSIOLOGICAL MECHANISMS LMD (FR) 2005-05-19 WO disclosed