SCHEMBL7124318

SCHEMBL7124318

O=C(O)c1cccc(C(=O)OCCCCCC(O)O)c1S(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
TSHR P16473 5/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ALOX15 P16050 1/20 0.35
S1PR3 Q99500 1/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FOLH1 Q04609 1/20 0.34
PRKCG P05129 1/20 0.34

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
SCHEMBL7120240 0.95 TSHR (0.40) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL27318264 0.84 TSHR (0.44) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL7115648 0.81 ALDH1A1 (0.41) ALDH1A1TSHRLMNACYP3A4TP53
SCHEMBL27492001 0.81 ALDH1A1 (0.69) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL2116927 0.80 ALOX15 (0.41) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL7124315 0.78 PRSS1 (0.36) ALDH1A1TSHRLMNACYP3A4ALOX15
Terephthalic Acid SCHEMBL8098139 0.77 ALOX15 (0.35) ALDH1A1TSHRHSD17B10POLBL3MBTL1
SCHEMBL7120234 0.76 ALDH1A1 (0.37) ALDH1A1TSHRCYP3A4ALOX15
SCHEMBL433519 0.76 TSHR (0.56) ALDH1A1TSHRLMNACYP3A4TP53
SCHEMBL27323045 0.74 ALDH1A1 (0.62) ALDH1A1TSHRLMNACYP3A4MAPK1

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