Lithium Ion

Lithium Ion

SCHEMBL9188017

O=C([O-])[C@@H]1O[C@H]1c1ccccc1CCCCCCCCc1ccccc1.[Li+]

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Lithium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 1/20 0.48
BCL2L1 Q07817 1/20 0.48
MCL1 Q07820 1/20 0.48
BAK1 Q16611 1/20 0.48
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
LTB4R Q15722 4/20 0.40
CYSLTR2 Q9NS75 3/20 0.40
CYSLTR1 Q9Y271 3/20 0.40

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
Lithium Ion SCHEMBL9184746 1.00 BID (0.48) BIDBCL2L1MCL1BAK1MAPT
SCHEMBL9182392 0.87 BID (0.51) BIDBCL2L1MCL1BAK1MAPT
SCHEMBL9182404 0.87 BID (0.51) BIDBCL2L1MCL1BAK1MAPT
SCHEMBL9186310 0.87 BID (0.51) BIDBCL2L1MCL1BAK1MAPT
SCHEMBL9182382 0.87 BID (0.51) BIDBCL2L1MCL1BAK1MAPT
Lithium SCHEMBL9184756 0.86 BID (0.50) BIDBCL2L1MCL1BAK1MAPT
SCHEMBL9184743 0.86 BID (0.50) BIDBCL2L1MCL1BAK1MAPT
SCHEMBL9184749 0.86 BID (0.50) BIDBCL2L1MCL1BAK1MAPT
SCHEMBL9188022 0.86 BID (0.50) BIDBCL2L1MCL1BAK1MAPT
SCHEMBL9182720 0.86 BID (0.50) BIDBCL2L1MCL1BAK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0541706-B1 PROCESS AND INTERMEDIATE FOR THE PREPARATION OF 2-HYDROXY-3-SULFIDO-3-PHENYL PROPANOIC ACIDS SMITHKLINE BEECHAM CORP (US) 1995-09-13 EP claimed
EP-0541706-A4 PROCESS AND INTERMEDIATE FOR THE PREPARATION OF 2-HYDROXY-3-SULFIDO-3-PHENYL PROPANOIC ACIDS 1993-12-01 EP claimed
EP-0541706-A1 PROCESS AND INTERMEDIATE FOR THE PREPARATION OF 2-HYDROXY-3-SULFIDO-3-PHENYL PROPANOIC ACIDS. SMITHKLINE BEECHAM CORP (US) 1993-05-19 EP claimed
WO-1992002519-A1 PROCESS AND INTERMEDIATE FOR THE PREPARATION OF 2-HYDROXY-3-SULFIDO-3-PHENYL PROPANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-02-20 WO claimed
EP-0541706-B1 PROCESS AND INTERMEDIATE FOR THE PREPARATION OF 2-HYDROXY-3-SULFIDO-3-PHENYL PROPANOIC ACIDS SMITHKLINE BEECHAM CORP (US) 1995-09-13 EP disclosed
EP-0541706-A4 PROCESS AND INTERMEDIATE FOR THE PREPARATION OF 2-HYDROXY-3-SULFIDO-3-PHENYL PROPANOIC ACIDS 1993-12-01 EP disclosed
EP-0541706-A1 PROCESS AND INTERMEDIATE FOR THE PREPARATION OF 2-HYDROXY-3-SULFIDO-3-PHENYL PROPANOIC ACIDS. SMITHKLINE BEECHAM CORP (US) 1993-05-19 EP disclosed
WO-1992003462-A1 NEW PHOSPHOLIPID DERIVATIVES OF NUCLEOSIDES, THEIR PREPARATION AND THEIR USE AS ANTIVIRAL DRUGS BOEHRINGER MANNHEIM GMBH (DE) 1992-03-05 WO disclosed
WO-1992002519-A1 PROCESS AND INTERMEDIATE FOR THE PREPARATION OF 2-HYDROXY-3-SULFIDO-3-PHENYL PROPANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-02-20 WO disclosed