SCHEMBL5383501

SCHEMBL5383501

O=C(O)COc1ccc(CC(=O)O)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.54
PPARD Q03181 2/20 0.54
ALOX15 P16050 2/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MCL1 Q07820 1/20 0.50
FFAR1 O14842 2/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 2/20 0.49
CAMK2A Q9UQM7 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PPARG P37231 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AKR1B1 P15121 1/20 0.46
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL21437911 0.84 POLB (0.51) ALOX15HSD17B10FFAR1POLBCAMK2A
SCHEMBL7173279 0.84 TSHR (0.62) PTPN7ALOX15TSHRHSD17B10MCL1
SCHEMBL4019934 0.83 PTPN7 (0.59) PTPN7PPARDALOX15TSHRHSD17B10
SCHEMBL30335932 0.80 POLB (0.73) HSD17B10POLBLMNAALDH1A1MAPT
SCHEMBL3296862 0.80 POLB (0.73) HSD17B10POLBLMNAALDH1A1MAPT
SCHEMBL3301562 0.79 PPARD (0.66) PTPN7PPARDALOX15TSHRHSD17B10
SCHEMBL22396697 0.79 MCL1 (0.68) PTPN7PPARDALOX15TSHRHSD17B10
SCHEMBL14640957 0.79 MCL1 (0.63) PTPN7PPARDALOX15TSHRHSD17B10
SCHEMBL15721416 0.79 PPARD (0.66) PTPN7PPARDALOX15TSHRHSD17B10
SCHEMBL274850 0.77 ALOX15 (0.68) PTPN7ALOX15FFAR1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276571-B2 Process for making phenylene dioxydiacetic acid and use thereof INDSPEC CHEMICAL CORPORATION 2007-10-02 US disclosed
US-7276571-B2 Process for making phenylene dioxydiacetic acid and use thereof INDSPEC CHEMICAL CORPORATION 2007-10-02 US disclosed
US-7276571-B2 Process for making phenylene dioxydiacetic acid and use thereof INDSPEC CHEMICAL CORPORATION 2007-10-02 US disclosed
WO-2007005086-A1 PROCESS FOR MAKING PHENYLENE DIOXYDIACETIC ACID AND USE THEREOF INDSPEC CHEMICAL CORPORATION (US) 2007-01-11 WO disclosed
US-20070004898-A1 Process for making phenylene dioxydiacetic acid and use thereof INDSPEC CHEMICAL CORPORATION 2007-01-04 US disclosed
US-20070004898-A1 Process for making phenylene dioxydiacetic acid and use thereof INDSPEC CHEMICAL CORPORATION 2007-01-04 US disclosed
US-20070004898-A1 Process for making phenylene dioxydiacetic acid and use thereof INDSPEC CHEMICAL CORPORATION 2007-01-04 US disclosed