SCHEMBL5404749

SCHEMBL5404749

CCc1cc(OCC(=O)O)ccc1OCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
PTPN7 P35236 1/20 0.53
MCL1 Q07820 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.51
GLA P06280 1/20 0.50
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
ALOX15 P16050 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NR4A1 P22736 1/20 0.49
APEX1 P27695 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL5394389 0.86 TSHR (0.71) TSHRPTPN7MCL1L3MBTL1MAPT
SCHEMBL16480616 0.83 MCL1 (0.61) TSHRPTPN7MCL1L3MBTL1MAPT
SCHEMBL16342279 0.83 PTGDR2 (0.60) TSHRL3MBTL1MAPTPTGDR2GLA
SCHEMBL4655073 0.83 ELANE (0.56) TSHRL3MBTL1MAPTPTGDR2GLA
SCHEMBL5650340 0.82 ALDH1A1 (0.57) TSHRL3MBTL1MAPTPTGDR2GLA
SCHEMBL3268767 0.81 PTGDR2 (0.50) TSHRL3MBTL1MAPTPTGDR2GLA
SCHEMBL14340636 0.81 MAPT (0.77) TSHRMAPTPTGDR2
SCHEMBL5699506 0.81 PTGDR2 (0.77) TSHRL3MBTL1MAPTLMNAPTGDR2
SCHEMBL16741195 0.81 PKM (0.64) L3MBTL1MAPTPTGDR2GLAALDH1A1
SCHEMBL3385737 0.81 PPARD (0.69) MCL1PPARGPPARDPPARA

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
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