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Sugi Predict / Compounds / Tetrabuthylammonium

Tetrabuthylammonium

Tetrabuthylammonium

SCHEMBL9033781

CCCC[N+](CCCC)(CCCC)CCCC.O=C([O-])C(=O)OCc1ccccc1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CETP P11597 3/20 0.47
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ CNR2 P34972 2/20 0.43
▸ MBOAT4 Q96T53 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 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
Tetrabuthylammonium SCHEMBL8942966 0.88 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1TDP1CYP3A4
Potassium Ion SCHEMBL11802697 0.83 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1TDP1TSHR
Tetrabuthylammonium SCHEMBL11095266 0.81 ALDH1A1 (0.48) ALDH1A1MAPK1L3MBTL1TDP1CYP3A4
Tetrabuthylammonium SCHEMBL10914788 0.81 ALDH1A1 (0.48) ALDH1A1MAPK1L3MBTL1TDP1CYP3A4
SCHEMBL15632870 0.81 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1TDP1CYP3A4
SCHEMBL11325287 0.81 ALDH1A1 (0.57) ALDH1A1MAPK1L3MBTL1TDP1TSHR
Tetrabuthylammonium SCHEMBL11095269 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1TDP1CYP3A4
Tetrabuthylammonium SCHEMBL10914794 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1TDP1CYP3A4
Tetrabuthylammonium SCHEMBL9790196 0.80 CNR2 (0.54) ALDH1A1MAPK1KMT2AMEN1CNR2
SCHEMBL7640798 0.79 CES2 (0.54) ALDH1A1MAPK1L3MBTL1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0294934-B1 Diastereomeric 5R,6S-6-(1R-hydroxyethyl)-2-(cis-1-oxo-3-thiolanylthio)-2-penem-3-carboxylic acids PFIZER (US) 1996-01-10 — — EP disclosed
US-5319103-A Intermediate diastereomeric 5R,6S-6-(1R-hydroxyethyl)-2-(cis-1-oxo-3-thiolanylthio)-2-penem-carboxylic acids PFIZER INC. (US) 1994-06-07 — — US disclosed
EP-0559533-A1 Process for preparing beta-lactam derivative and synthetic intermediate thereof TANABE SEIYAKU CO., LTD. (JP) 1993-09-08 — — EP disclosed
US-5191077-A Diastereomeric 5R,6S-6-(1R-hydroxyethyl)-2-(cis-1-oxo-3-thiolanylthio)-2-penem-3-carboxylic acids PFIZER INC. (US) 1993-03-02 — — US disclosed
EP-0223397-B1 PROCESS FOR 2-(1-OXO-3-THIOLANYL)-2-PENEM ANTIBIOTICS PFIZER INC. (US) 1991-09-04 — — EP disclosed
US-5013729-A Diastereomeric 5R,6S-6-(1R-hydroxyethyl)-2-(cis-1-oxo-3-thiolanylthio)-2-penem-3-carboxylic acids PFIZER INC. (US) 1991-05-07 — — US disclosed
US-4870170-A Process for 2-(1-oxo-3-thiolanyl)-2-penem antibiotics PFIZER INC. (US) 1989-09-26 — — US disclosed
US-4794179-A 2-(1-oxo-3-thiolanyl)-2-penem antibiotics PFIZER INC. (US) 1988-12-27 — — US disclosed
EP-0294934-A2 Diastereomeric 5R,6S-6-(1R-hydroxyethyl)-2-(cis-1-oxo-3-thiolanylthio)-2-penem-3-carboxylic acids PFIZER INC. (US) 1988-12-14 — — EP disclosed
WO-1988008845-A1 DIASTEREOMERIC 5R,6S-6-(1R-HYDROXYETHYL)-2-(CIS-1-OXO-3-THIOLANYLTHIO)-2-PENEM-3-CARBOXYLIC ACIDS PFIZER INC. (US) 1988-11-17 — — WO disclosed
US-4739047-A Intermediates for 2-(1-oxo-3-thiolanyl)-2-penem antibiotics PFIZER INC. (US) 1988-04-19 — — US disclosed
EP-0223397-A2 Process for 2-(1-oxo-3-thiolanyl)-2-penem antibiotics PFIZER INC. (US) 1987-05-27 — — EP disclosed