SCHEMBL7516079

SCHEMBL7516079

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
SRC P12931 1/20 0.39
TP53 P04637 2/20 0.33
PGD P52209 2/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
CYP2C9 P11712 1/20 0.32
PDE4A P27815 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
SCHEMBL28118534 0.84 TSHR (0.38) TSHRSRC
SCHEMBL1263842 0.83 TSHR (0.47) TSHRSRCTP53PGDMMP1
SCHEMBL7516069 0.83 TSHR (0.47) TSHRSRCTP53PGDMMP1
SCHEMBL1431069 0.81 TSHR (0.45) TSHRSRCTP53PGDMMP1
SCHEMBL4950263 0.81 TSHR (0.45) TSHRSRCTP53PGDMMP1
SCHEMBL28888435 0.80 ALDH1A1 (0.46) TSHRSRCPGDMMP1MMP2
SCHEMBL184960 0.79 TSHR (0.50) TSHRSRCTP53PGDMMP1
SCHEMBL2200092 0.79 TSHR (0.50) TSHRSRCTP53PGDMMP1
SCHEMBL8683123 0.79 TSHR (0.43) TSHRSRCTP53PGDMMP1
SCHEMBL5691239 0.79 TSHR (0.50) TSHRSRCTP53PGDMMP1

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-1196522-A1 DETERGENT COMPOSITIONS OR COMPONENTS THE PROCTER & GAMBLE COMPANY (US) 2002-04-17 EP disclosed
EP-1121406-A1 DETERGENT COMPOSITIONS OR COMPONENTS THE PROCTER & GAMBLE COMPANY (US) 2001-08-08 EP disclosed
WO-2001002526-A1 DETERGENT COMPOSITIONS OR COMPONENTS THE PROCTER & GAMBLE COMPANY (US) 2001-01-11 WO disclosed
WO-2000022075-A1 DETERGENT COMPOSITIONS OR COMPONENTS THE PROCTER & GAMBLE COMPANY (US) 2000-04-20 WO disclosed