SCHEMBL6734582

SCHEMBL6734582

CCOP(=O)(O)CC(O)CO

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.52
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GABRR1 P24046 1/20 0.33
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL11742397 0.82 PPARD (0.45) PPARDTSHRTP53TDP1POLB
SCHEMBL6734576 0.81 PPARD (0.50) PPARDTSHRTP53TDP1POLB
Glycerin SCHEMBL19453206 0.78 PPARD (0.45) PPARDTSHRTP53TDP1LMNA
Diethyl Hydrogen Phosphate SCHEMBL16180713 0.78 PPARD (0.45) PPARDTSHRTP53TDP1POLB
SCHEMBL11732316 0.78 PPARD (0.50) PPARDTSHRTP53TDP1POLB
Triethyl Phosphate SCHEMBL20741196 0.76 TSHR (0.62) PPARDTSHRTP53TDP1POLB
SCHEMBL27666449 0.75 PPARD (0.47) PPARDTSHRTP53TDP1POLB
SCHEMBL5135554 0.75 CA1 (0.32)
SCHEMBL46668 0.73 SMN1; SMN2 (0.44) PPARDTSHRSMN1; SMN2LMNA
SCHEMBL18541838 0.73 SMN1; SMN2 (0.44) PPARDTSHRSMN1; SMN2LMNA

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
US-20040010858-A1 Hydrophilically modified polyisocyanates and polyurethanes for crease-proofing textiles containing cellulose BASF AKTIENGESELLSCHAFT (DE) 2004-01-22 US disclosed
US-5776394-A Process for manufacturing cellulose fibres BASF AKTIENGESELLSCHAFT (DE) 1998-07-07 US disclosed
US-5470907-A Flow resistant polymers for finishes or coatings BASF AKTIENGESELLSCHAFT (DE) 1995-11-28 US disclosed
US-4861826-A Aqueous polyurethane adhesive dispersions BASF AKTIENGESELLSCHAFT (DE) 1989-08-29 US disclosed