Toluene

Toluene

SCHEMBL6619392

CC#N.CCOC(C)=O.Cc1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TSHR P16473 3/20 0.44
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ RECQL P46063 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 3/20 0.41
▸ PIN1 Q13526 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX12 P18054 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
Toluene SCHEMBL27492562 0.91 ALDH1A1 (0.56) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL9248790 0.91 ALDH1A1 (0.56) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL27840996 0.91 ALDH1A1 (0.56) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL1532531 0.91 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL414372 0.91 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL6346934 0.91 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL4248351 0.91 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL21490912 0.91 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL1077296 0.91 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL1159815 0.91 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114984038-A Selenium-containing composition and its use for treating and preventing diseases or disorders associated with mitochondrial dysfunction 全技术公司 2022-09-02 — — CN disclosed
CN-114533753-A Selenium-containing composition and application thereof in treating and preventing diseases or symptoms related to mitochondrial dysfunction 全技术公司 2022-05-27 — — CN disclosed
CN-101121708-B Method for synthesizing oxapium iodide and analogue thereof XIAOXIANG LI 2010-12-15 — — CN disclosed
CN-101121708-A Method for synthesizing oxapium iodide and analogue thereof XIAOXIANG LI (CN) 2008-02-13 — — CN disclosed
EP-1000059-B1 TRICYCLIC VASOPRESSIN AGONISTS WYETH CORP (US) 2004-09-29 — — EP disclosed
CN-1162429-C Tricyclic vasopressin agonists — 2004-08-18 — — CN disclosed
EP-1149096-B1 TRICYCLIC PYRIDINE N-OXIDES VASOPRESSIN AGONISTS WYETH CORP (US) 2002-12-18 — — EP disclosed
CN-1347415-A Tricyclic pyridine N-oxide vasopressin agonists AMERICAN HOME PROD (US) 2002-05-01 — — CN disclosed
EP-1149096-A2 TRICYCLIC PYRIDINE N-OXIDES VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-31 — — EP disclosed
US-6235900-B1 Tricyclic pyridine N-oxides vasopressin agonists AMERICAN HOME PRODUCTS CORPORATION 2001-05-22 — — US disclosed
US-6194407-B1 INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION 2001-02-27 — — US disclosed
CN-1272110-A Tricyclic vasopressin agonists AMERICAN HOME PROD (US) 2000-11-01 — — CN disclosed
WO-2000046224-A2 TRICYCLIC PYRIDINE N-OXIDES VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-10 — — WO disclosed
US-6090803-A ANTIDIABETIC AGENTS; INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-18 — — US disclosed
EP-1000059-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 — — EP disclosed
WO-1999006403-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 — — WO disclosed
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