SCHEMBL7605936

SCHEMBL7605936

O=C(OC(C(=O)O)C(O)C(=O)O)c1ccccc1OC(C(=O)O)C(O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.38
KDM4E B2RXH2 5/20 0.38
HSD17B10 Q99714 4/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SRC P12931 1/20 0.36
KMT2A Q03164 3/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 3/20 0.35
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 2/20 0.34
PTGS2 P35354 2/20 0.34
NPC1 O15118 1/20 0.34
ESR1 P03372 1/20 0.33
ITGB3 P05106 1/20 0.33

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
SCHEMBL2722024 0.86 HPGD (0.47) TSHRTP53HSD17B10SLC6A3KMT2A
SCHEMBL7181727 0.86 HPGD (0.47) TSHRTP53HSD17B10SLC6A3KMT2A
SCHEMBL11228876 0.83 TP53 (0.38) TSHRTP53KDM4EHSD17B10SRC
SCHEMBL7605933 0.81 HPGD (0.50) TSHRTP53KDM4EHSD17B10LMNA
SCHEMBL7761627 0.79 TP53 (0.47) TSHRTP53KDM4ELMNAKMT2A
Water SCHEMBL8467116 0.78 TP53 (0.46) TSHRTP53LMNASRCKMT2A
SCHEMBL23266974 0.76 TSHR (0.78) TSHRTP53LMNASLC6A3SRC
SCHEMBL2596611 0.76 TSHR (0.78) TSHRTP53LMNASLC6A3SRC
SCHEMBL341403 0.76 TSHR (0.78) TSHRTP53LMNASLC6A3SRC
SCHEMBL2331470 0.76 TSHR (0.78) TSHRTP53LMNASLC6A3SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109602687-A A kind of whitening spot-eliminating composition 王清秀 2019-04-12 CN disclosed
US-6498132-B2 SURFACE TREATMENT COMPOSITION COMPRISES A COMPLEXING AGENT AS A METAL DEPOSITION PREVENTIVE COMPRISING ATLEAST ONE AROMATIC HYDROCARBON RING CONTAINING HYDROXY OR O-GROUP DIRECTLY ATTACHED WITH RING CARBON AND A SECOND COMPLEXING AGENT MITSUBISHI CHEMICAL CORPORATION (JP) 2002-12-24 US disclosed
US-20020045556-A1 Method for treating surface of substrate and surface treatment composition used for the same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-04-18 US disclosed
US-5885362-A APPLYING TO SURFACE A COMPOSITION COMPRISING A LIQUID MEDIUM AND AT LEAST ONE COMPLEXING AGENT, FOR EXAMPLE ETHYLENEDIAMINEDIORTHOHYDROXYPHENYLACETIC ACID MITSUBISHI CHEMICAL CORPORATION (JP) 1999-03-23 US disclosed
EP-0789071-A1 METHOD FOR TREATING SURFACE OF SUBSTRATE AND SURFACE TREATMENT COMPOSITION THEREFOR MITSUBISHI CHEMICAL CORPORATION (JP) 1997-08-13 EP disclosed