SCHEMBL4071969

SCHEMBL4071969

CC(C)(C)CC(C)(C)c1ccc(OCC(O)COC(F)(F)C(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MDH1 P40925 2/20 0.44
▸ MDH2 P40926 2/20 0.44
▸ HTT P42858 2/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ AR P10275 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ SHBG P04278 1/20 0.40
▸ MAPT P10636 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ CACNA1G O43497 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL7167447 0.85 SMN1; SMN2 (0.47) SMN1; SMN2CYP3A4MDH1MDH2HTT
SCHEMBL4071970 0.83 LMNA (0.44) HTTHIF1AARLMNAHSD17B10
SCHEMBL15677164 0.79 AR (0.62) SMN1; SMN2CYP3A4MDH1MDH2HTT
SCHEMBL15677151 0.79 SMN1; SMN2 (0.54) SMN1; SMN2CYP3A4MDH1MDH2HTT
SCHEMBL2108647 0.79 SMN1; SMN2 (0.54) SMN1; SMN2CYP3A4MDH1MDH2HTT
SCHEMBL28000802 0.76 CYP3A4 (0.61) SMN1; SMN2CYP3A4MDH1MDH2HTT
SCHEMBL7879426 0.76 CYP3A4 (0.61) SMN1; SMN2CYP3A4MDH1MDH2HTT
SCHEMBL28001129 0.76 CYP3A4 (0.61) SMN1; SMN2CYP3A4MDH1MDH2HTT
SCHEMBL10412598 0.75 SMN1; SMN2 (0.60) SMN1; SMN2CYP3A4MDH1MDH2HTT
SCHEMBL13328787 0.74 KDM4E (0.54) SMN1; SMN2CYP3A4HTTHIF1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174503-B1 NUCLEAR WASTES TREATMENT, ESPECIALLY WASTES WITH A HIGH CONCENTRATION OF COMPETING ALKALI METAL CATIONS LOCKHEED MARTIN ENERGY RESEARCH CORPORATION 2001-01-16 — — US claimed
CN-102935355-A Adsorbent for separating heating element Cs and preparation method and application thereof UNIV ZHEJIANG 2013-02-20 — — CN disclosed
US-7524469-B2 Extractant composition including crown ether and calixarene extractants BATTELLE ENERGY ALLIANCE, LLC (US) 2009-04-28 — — US disclosed
US-20080179568-A1 EXTRACTANT COMPOSITION INCLUDING CROWN ETHER AND CALIXARENE EXTRACTANTS ENERGY, UNITED STATES DEPARTMENT OF 2008-07-31 — — US disclosed
US-7291316-B2 Cesium and strontium extraction using a mixed extractant solvent including crown ether and calixarene extractants BATTELLE ENERGY ALLIANCE, LLC (US) 2007-11-06 — — US disclosed
US-20050211955-A1 Cesium and strontium extraction using a mixed extractant solvent including crown ether and calixarene extractants BATTELLE ENERGY ALLIANCE, LLC 2005-09-29 — — US disclosed
US-6566561-B1 Phenoxy fluoro-alcohols, their preparation, and their use as phase modifiers and solvating agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF ENERGY 2003-05-20 — — US disclosed
US-6174503-B1 NUCLEAR WASTES TREATMENT, ESPECIALLY WASTES WITH A HIGH CONCENTRATION OF COMPETING ALKALI METAL CATIONS LOCKHEED MARTIN ENERGY RESEARCH CORPORATION 2001-01-16 — — US disclosed
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