SCHEMBL7620007

SCHEMBL7620007

CC(=O)Oc1ccc(C(C)(C)CC(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
SHBG P04278 1/20 0.53
MAPT P10636 4/20 0.50
LMNA P02545 3/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
MDH1 P40925 6/20 0.48
MDH2 P40926 6/20 0.48
ELANE P08246 1/20 0.44
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TTR P02766 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL14357630 0.91 SMN1; SMN2 (0.48) CYP3A4SMN1; SMN2SHBGMAPTLMNA
SCHEMBL28761267 0.89 SMN1; SMN2 (0.56) CYP3A4SMN1; SMN2SHBGMAPTMDH1
SCHEMBL1064180 0.87 CYP3A4 (0.57) CYP3A4SMN1; SMN2SHBGMAPTMDH1
SCHEMBL1836425 0.84 CYP3A4 (0.54) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL29943853 0.84 CYP3A4 (0.54) CYP3A4SMN1; SMN2SHBGMAPTLMNA
SCHEMBL9457427 0.84 CYP3A4 (0.54) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL1787793 0.84 TDP1 (0.52) MAPTLMNAPOLBPKMELANE
SCHEMBL4899225 0.83 CYP3A4 (0.50) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL14586725 0.83 CYP3A4 (0.53) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL11724586 0.82 SHBG (0.50) CYP3A4SMN1; SMN2SHBGMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116904765-A Method for selectively extracting, precipitating and enriching lithium from lithium-containing alkaline aqueous solution 北京科技大学 2023-10-20 CN claimed
CN-116904764-A Method and device for selectively extracting lithium from lithium-containing alkaline aqueous solution 北京科技大学 2023-10-20 CN claimed
CN-116904765-A Method for selectively extracting, precipitating and enriching lithium from lithium-containing alkaline aqueous solution 北京科技大学 2023-10-20 CN disclosed
CN-116904764-A Method and device for selectively extracting lithium from lithium-containing alkaline aqueous solution 北京科技大学 2023-10-20 CN disclosed
CN-113201649-B Phenoxy carboxylic acid solid-phase extracting agent, and preparation method and application thereof 福建省长汀金龙稀土有限公司 2023-04-11 CN disclosed
CN-113493870-B Composite flocculant for ion type rare earth enrichment and enrichment method 福建省长汀金龙稀土有限公司 2023-04-07 CN disclosed
CN-113444883-B Mixed extracting agent and method for enriching rare earth by using same 福建省长汀金龙稀土有限公司 2022-12-23 CN disclosed
CN-114604951-A Application of p-tert-octyl phenoxy carboxylic acid in copper-containing wastewater treatment 厦门稀土材料研究所 2022-06-10 CN disclosed
CN-113493870-A Composite flocculant for ion type rare earth enrichment and enrichment method 厦门钨业股份有限公司 2021-10-12 CN disclosed
EP-0923532-B1 ESTERIFICATION OF PHENOLS COGNIS CORP (US) 2002-09-04 EP disclosed
EP-0923532-A4 ESTERIFICATION OF PHENOLS HENKEL CORP (US) 1999-09-15 EP disclosed
EP-0923532-A1 ESTERIFICATION OF PHENOLS HENKEL CORPORATION (US) 1999-06-23 EP disclosed
US-5808130-A REACTION WITH CARBOXYLIC ACID OR ANHYDRIDE, STRONG ACID CATALYST, RECYCLING ACID HENKEL CORPORATION (US) 1998-09-15 US disclosed
WO-1997049663-A1 ESTERIFICATION OF PHENOLS HENKEL CORPORATION (US) 1997-12-31 WO disclosed