SCHEMBL7124315

SCHEMBL7124315

O=C(O)c1cccc(C(=O)OCC(O)CCCCO)c1S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ADRB2 P07550 10/20 0.35
ADRB1 P08588 10/20 0.35
ADRB3 P13945 10/20 0.35
ALDH1A1 P00352 5/20 0.35
TSHR P16473 1/20 0.35
CA2 P00918 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
LMNA P02545 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
SCHEMBL7120234 0.91 ALDH1A1 (0.37) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL27318264 0.82 TSHR (0.44) ALDH1A1TSHRCYP3A4ALOX15LMNA
SCHEMBL7115648 0.82 ALDH1A1 (0.41) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL7124318 0.78 ALDH1A1 (0.43) PRSS1PRSS2PRSS3ALDH1A1TSHR
SCHEMBL2116927 0.78 ALOX15 (0.41) ALDH1A1TSHRCYP3A4ALOX15LMNA
SCHEMBL7120240 0.78 TSHR (0.40) ALDH1A1TSHRCYP3A4ALOX15LMNA
SCHEMBL21224220 0.76 ALDH1A1 (0.54) PRSS1PRSS2PRSS3ADRB2ADRB1
Ethylene Glycol SCHEMBL5604837 0.74 ALOX15 (0.52) ALDH1A1TSHRCA2ALOX15LMNA
Ethylene Glycol SCHEMBL2116930 0.74 ALOX15 (0.52) ALDH1A1TSHRCA2ALOX15LMNA
SCHEMBL433519 0.74 TSHR (0.56) ALDH1A1TSHRCA2CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669358-B1 BIODEGRADABLE COPOLYESTER, MOLDING PRODUCED THEREFROM, AND PROCESS FOR PRODUCING THE MOLDING KANEBO LTD (JP) 2003-11-19 EP disclosed
US-5593778-A FIBERS, FABRICS, LACTIC ACID, POLYETHYLENE GLYCOL, A DICARBOXYPHENYL SULFONATE MONOMER KANEBO, LTD. (JP) 1997-01-14 US disclosed
EP-0669358-A1 BIODEGRADABLE COPOLYESTER, MOLDING PRODUCED THEREFROM, AND PROCESS FOR PRODUCING THE MOLDING KANEBO LTD. (JP) 1995-08-30 EP disclosed