SCHEMBL149591

SCHEMBL149591

CC(=O)c1cccc[n+]1CCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 4/20 0.37
PABPC1 P11940 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
APOBEC3A P31941 2/20 0.32
APOBEC3G Q9HC16 2/20 0.32
USP2 O75604 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.31
MAPT P10636 1/20 0.31
PBRM1 Q86U86 1/20 0.30

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
Bromide SCHEMBL1652337 0.98 CYP2D6 (0.38) CYP2D6CYP2C19POLBPABPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL1717299 0.98 CYP2D6 (0.38) CYP2D6CYP2C19POLBPABPC1SMN1; SMN2
Acetic Acid SCHEMBL1716571 0.95 CYP2D6 (0.36) CYP2D6CYP2C19POLBPABPC1SMN1; SMN2
Sulfuric Acid SCHEMBL2185375 0.91 CYP2D6 (0.34) CYP2D6CYP2C19POLBPABPC1SMN1; SMN2
Sulfuric Acid SCHEMBL1030156 0.91 CYP2D6 (0.34) CYP2D6CYP2C19POLBPABPC1SMN1; SMN2
SCHEMBL1650870 0.87 CYP2D6 (0.35) CYP2D6CYP2C19POLBPABPC1KMT2A
SCHEMBL146684 0.83 LMNA (0.38) CYP2D6POLBSMN1; SMN2KMT2AKDM4E
SCHEMBL1724143 0.81 CYP2D6 (0.41) CYP2D6CYP2C19POLBSMN1; SMN2NPC1
SCHEMBL1724667 0.81 TSHR (0.39) CYP2D6CYP2C19POLBSMN1; SMN2NPC1
Bromide SCHEMBL1712429 0.80 KMT2A (0.38) CYP2D6CYP2C19POLBSMN1; SMN2NPC1

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017089163-A1 ENZYME STABILIZERS HENKEL AG & CO. KGAA (DE) 2017-06-01 WO claimed
EP-2934472-B1 GENTLE OXIDATIVE HAIR TREATMENT WITH SILICONE PRE-TREATMENT AND BLEACHING FORCE INTENSIFIER HENKEL AG & CO KGAA (DE) 2017-09-13 EP disclosed
WO-2017089163-A1 ENZYME STABILIZERS HENKEL AG & CO. KGAA (DE) 2017-06-01 WO disclosed
EP-2651377-B1 BRIGHTENING AGENT COMPRISING ACYLPYRIDINIUM COMPOUNDS AND DEFINED SURFACTANT COMBINATION HENKEL AG & CO KGAA (DE) 2017-04-12 EP disclosed
EP-2552394-B1 DYE WITH LIPOPHILIC ACYLPYRIDINIUM COMPLEX HENKEL AG & CO KGAA (DE) 2016-11-02 EP disclosed
EP-2934684-A2 GENTLE OXIDATIVE HAIR TREATMENT WITH SPECIAL SILICONE AFTER-TREATMENT Henkel AG&Co. KGAA (DE) 2015-10-28 EP disclosed
EP-2934472-A2 GENTLE OXIDATIVE HAIR TREATMENT WITH SILICONE PRE-TREATMENT AND BLEACHING FORCE INTENSIFIER Henkel AG & Co. KGaA (DE) 2015-10-28 EP disclosed
EP-2552393-B1 LIGHTENER WITH LIPOPHILIC ACYLPYRIDINIUM COMPLEX HENKEL AG & CO KGAA (DE) 2015-03-04 EP disclosed
EP-2440174-B1 AFTERTREATMENT FOR COLOR FIXATION HENKEL AG & CO KGAA (DE) 2014-12-17 EP disclosed
US-8784507-B2 Post oxidative hair treatment agent with silicone HENKEL AG & CO. KGAA (DE) 2014-07-22 US disclosed
EP-2295027-A2 Intensive protective dye Henkel AG & Co. KGaA (DE) 2011-03-16 EP disclosed
WO-2010142493-A2 AFTERTREATMENT FOR COLOR FIXATION HENKEL AG & CO. KGAA (DE) 2010-12-16 WO disclosed
WO-2010130526-A2 HAIR CARE AGENT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO. KGAA (DE) 2010-11-18 WO disclosed
WO-2010130513-A2 HAIR CARE PRODUCT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO. KGAA (DE) 2010-11-18 WO disclosed
WO-2010130510-A2 HAIR SHAPING PRODUCT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO. KGAA (DE) 2010-11-18 WO disclosed
WO-2010054981-A2 COMBINATION OF CATIONIC BLEACH ACTIVATORS AND DYES HENKEL AG & CO. KGAA (DE) 2010-05-20 WO disclosed
WO-2010054981-A2 COMBINATION OF CATIONIC BLEACH ACTIVATORS AND DYES HENKEL AG & CO. KGAA (DE) 2010-05-20 WO disclosed
WO-2010029006-A2 BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES HENKEL AG & CO. KGAA (DE) 2010-03-18 WO disclosed
WO-2010022996-A1 CATIONIC ACETYLPYRIDINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS HENKEL AG & CO. KGAA (DE) 2010-03-04 WO disclosed
WO-2010022996-A1 CATIONIC ACETYLPYRIDINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS HENKEL AG & CO. KGAA (DE) 2010-03-04 WO disclosed