SCHEMBL7565582

SCHEMBL7565582

CC(=O)Oc1ccc(C)c(OC(C)=O)c1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 3/20 0.50
HPGD P15428 2/20 0.50
MAPK1 P28482 1/20 0.50
ACHE P22303 2/20 0.49
ELANE P08246 1/20 0.47
POLB P06746 2/20 0.45
GAA P10253 3/20 0.44
TSHR P16473 2/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
CFD P00746 1/20 0.43
KMT2A Q03164 2/20 0.42
BLM P54132 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
APEX1 P27695 1/20 0.42

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
SCHEMBL16265058 0.89 KDM4E (0.59) PTPN1HTTKDM4EALDH1A1HSD17B10
SCHEMBL10438118 0.88 POLB (0.51) PTPN1HTTKDM4EALDH1A1HSD17B10
SCHEMBL7947809 0.86 POLB (0.51) PTPN1HTTKDM4EALDH1A1HSD17B10
SCHEMBL9328943 0.86 PTPN1 (0.62) PTPN1HTTKDM4EALDH1A1HSD17B10
SCHEMBL8949855 0.84 PTPN1 (0.53) PTPN1HTTKDM4EALDH1A1HSD17B10
SCHEMBL8022610 0.84 HTT (0.49) PTPN1HTTKDM4EALDH1A1HSD17B10
SCHEMBL1143040 0.82 PTPN1 (0.68) PTPN1HTTKDM4EALDH1A1HSD17B10
SCHEMBL29940577 0.82 PTPN1 (0.68) PTPN1HTTKDM4EALDH1A1HSD17B10
Acetic Acid SCHEMBL7565584 0.81 KDM4E (0.49) PTPN1HTTKDM4EALDH1A1HSD17B10
SCHEMBL10546986 0.81 MAPK1 (0.52) PTPN1HTTKDM4EALDH1A1HSD17B10

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5340888-A Curable mixture of phenolic novolak resin, esterified phenolic compound and base; for foundry molds, cores BORDEN INC. (US) 1994-08-23 US claimed
EP-0377308-B1 Phenolic resins BORDEN UK LTD (GB) 1993-11-03 EP claimed
US-5051454-A An esterified phenolic compound, an unesterified phenolic resole and a base and curing BORDEN, INC. (US) 1991-09-24 US claimed
EP-1235656-A1 IMPROVEMENTS IN ESTER CURED BINDERS BORDEN CHEMICAL, INC. (US) 2002-09-04 EP disclosed
WO-2001026842-A1 IMPROVEMENTS IN ESTER CURED BINDERS BORDEN CHEMICAL, INC. (US) 2001-04-19 WO disclosed
EP-0530943-B1 Refractory compositions BORDEN INC (US) 1995-12-27 EP disclosed
EP-0469785-B1 Retarders for curing/hardening resole resins BORDEN INC (US) 1995-01-11 EP disclosed
EP-0469811-B1 Accelerators for curing phenolic resole resins BORDEN INC (US) 1994-11-30 EP disclosed
US-5294649-A Hardening agent of magnesioum hydroxide or lightburned magnesium oxide and promoter of a nitrogen-containing heterocyclic compound BORDEN, INC. (US) 1994-03-15 US disclosed
US-5281644-A Phenolic resin hardening with nitroalkane BORDEN, INC. (US) 1994-01-25 US disclosed
US-5262495-A Magnesium oxide or magnesium hydroxide hardeners to slow gelation BORDEN, INC. (US) 1993-11-16 US disclosed
EP-0530943-A1 Refractory compositions Borden, Inc. (US) 1993-03-10 EP disclosed
US-5182347-A Hardening phenolic resin binder BORDEN, INC. (US) 1993-01-26 US disclosed
US-5182346-A Magnesium oxide or hydroxide, chelating agent BORDEN, INC. (US) 1993-01-26 US disclosed
US-5180795-A Anilines, Salicylamide, Sulfanilic Acid, Anilinesulfonic Acid BORDEN, INC. (US) 1993-01-19 US disclosed
US-5179177-A Binder for a magnesia aggregate BORDEN, INC. (US) 1993-01-12 US disclosed
US-5145913-A Decrease solubility of magnesium oxide or magnesium hydroxide hardener BORDEN, INC. (US) 1992-09-08 US disclosed
US-5096983-A Magnesium oxide and and ester as hardeners, retarder to inhibit hardening BORDEN, INC. (US) 1992-03-17 US disclosed
EP-0469811-A2 Accelerators for curing phenolic resole resins Borden, Inc. (US) 1992-02-05 EP disclosed
EP-0469785-A2 Retarders for curing/hardening resole resins Borden, Inc. (US) 1992-02-05 EP disclosed