SCHEMBL4837578

SCHEMBL4837578

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
TBXA2R P21731 1/20 0.36
RNPEP Q9H4A4 1/20 0.35
SLC7A5 Q01650 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
CYP2C9 P11712 1/20 0.34
GALR3 O60755 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP19A1 P11511 1/20 0.34
TP53 P04637 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 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
Butane SCHEMBL15233869 0.92 LMNA (0.34) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL609300 0.92 RNPEP (0.44) RNPEPSLC7A5LMNACYP19A1MMP1
SCHEMBL5476515 0.90 TSHR (0.31) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2721210 0.87 CYP19A1 (0.35) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL5478887 0.86 LMNA (0.35) LMNA
SCHEMBL13334330 0.85 TSHR (0.31) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2991206 0.85 TSHR (0.31) TSHRCHRM2CHRM4CHRM1TBXA2R
Biphenyl SCHEMBL17317281 0.82 PDCD1 (0.50) TSHRMAPTCYP2C9SMN1; SMN2
SCHEMBL14150381 0.82 FAAH (0.37) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL6078942 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354977-B1 Process for hydroxyalkylating carboxylic acid-functionalized materials HENKEL CORPORATION (US) 2008-04-08 US disclosed
EP-0973721-A4 PROCESS FOR HYDROXYALKYLATING CARBOXYLIC ACID-FUNCTIONALIZED MATERIALS LOCTITE CORP (US) 2000-05-10 EP disclosed
EP-0973721-A1 PROCESS FOR HYDROXYALKYLATING CARBOXYLIC ACID-FUNCTIONALIZED MATERIALS LOCTITE CORPORATION (US) 2000-01-26 EP disclosed
WO-1998031655-A1 PROCESS FOR HYDROXYALKYLATING CARBOXYLIC ACID-FUNCTIONALIZED MATERIALS LOCTITE CORPORATION (US) 1998-07-23 WO disclosed
EP-0492237-A1 Modified polyester resins, process for their preparation and toner containing these polyester resins BAYER AG (DE) 1992-07-01 EP disclosed