SCHEMBL7605933

SCHEMBL7605933

O=C(OC(C(=O)O)C(O)C(=O)O)c1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.50
HSD17B10 Q99714 4/20 0.50
ALOX15 P16050 1/20 0.50
LMNA P02545 4/20 0.49
TSHR P16473 3/20 0.49
TP53 P04637 2/20 0.49
KDM4E B2RXH2 9/20 0.46
ALDH1A1 P00352 8/20 0.46
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HMGB1 P09429 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL7761627 0.82 TP53 (0.47) HPGDLMNATSHRTP53KDM4E
Water SCHEMBL8467116 0.81 TP53 (0.46) HPGDLMNATSHRTP53ALDH1A1
SCHEMBL7605936 0.81 TSHR (0.46) HPGDHSD17B10LMNATSHRTP53
SCHEMBL2722024 0.80 HPGD (0.47) HPGDHSD17B10TSHRTP53ALDH1A1
SCHEMBL7181727 0.80 HPGD (0.47) HPGDHSD17B10TSHRTP53ALDH1A1
SCHEMBL5963748 0.79 TDP1 (0.43) HPGDHSD17B10ALOX15LMNATSHR
SCHEMBL6057627 0.79 HPGD (0.43) HPGDHSD17B10ALOX15LMNATSHR
SCHEMBL23266974 0.79 TSHR (0.78) LMNATSHRTP53ALDH1A1TDP1
SCHEMBL2596611 0.79 TSHR (0.78) LMNATSHRTP53ALDH1A1TDP1
SCHEMBL341403 0.79 TSHR (0.78) LMNATSHRTP53ALDH1A1TDP1

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