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Dimethylcarbate

Dimethylcarbate

SCHEMBL8440752

CN(C)C(=O)O.CN(C)C(=O)O.CN(C)C(=O)O.CN(C)C(=O)O.CN(C)C(=O)O.CN(C)C(=O)O.CN(C)C(=O)O.c1ccc(C2CC2)cc1.c1ccc(C2CC2)cc1

nearest known ligand 0.53

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.53
▸ AKR1C1 Q04828 1/20 0.53
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.47
▸ SLC18A3 Q16572 4/20 0.47
▸ NPY5R Q15761 2/20 0.47
▸ SIGMAR1 Q99720 2/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ HSD11B1 P28845 1/20 0.43
▸ MAP1LC3B Q9GZQ8 1/20 0.43

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
Bicarbonate SCHEMBL7573346 0.84 AKR1C3 (0.63) AKR1C3AKR1C1NPC1RAB9AKDM4E
Bicarbonate SCHEMBL1720488 0.84 AKR1C3 (0.63) AKR1C3AKR1C1NPC1RAB9AKDM4E
Methyl Alcohol SCHEMBL2329914 0.82 SLC18A3 (0.58) AKR1C3AKR1C1NPC1RAB9AKDM4E
Hydrogen Peroxide SCHEMBL2353767 0.82 SLC18A3 (0.64) AKR1C3AKR1C1NPC1RAB9ASLC18A3
SCHEMBL3144653 0.80 AKR1C3 (0.64) AKR1C3AKR1C1NPC1RAB9AKDM4E
Carbamic Acid SCHEMBL9679981 0.80 AKR1C3 (0.59) AKR1C3AKR1C1NPC1RAB9AKDM4E
SCHEMBL27277784 0.80 AKR1C3 (0.54) AKR1C3AKR1C1NPC1RAB9AKDM4E
SCHEMBL190417 0.79 SLC18A3 (0.67) AKR1C3AKR1C1NPC1RAB9AKDM4E
SCHEMBL41763 0.79 — —
SCHEMBL1836974 0.78 AKR1C3 (0.61) AKR1C3AKR1C1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900198-A1 NEW VITAMIN D DERIVATIVES WITH CARBO- OR HETEROCYCLIC SUBSTITUENTS AT C-25, A PROCESS FOR THEIR PRODUCTION, INTERMEDIATE PRODUCTS AND THEIR USE FOR PRODUCING MEDICAMENTS Schering Aktiengesellschaft (DE) 1999-03-10 — — EP disclosed
WO-1997041096-A1 NEW VITAMIN D DERIVATIVES WITH CARBO- OR HETEROCYCLIC SUBSTITUENTS AT C-25, A PROCESS FOR THEIR PRODUCTION, INTERMEDIATE PRODUCTS AND THEIR USE FOR PRODUCING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1997-11-06 — — WO disclosed