SCHEMBL751188

SCHEMBL751188

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 3/20 0.33
NOTUM Q6P988 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RECQL P46063 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
SCHEMBL297321 0.83 USP2 (0.36) SMN1; SMN2ALDH1A1NOTUMCYP2D6CYP2C19
SCHEMBL2509427 0.80 MDM4 (0.37) SMN1; SMN2MAPTALDH1A1CYP2D6CYP2C19
SCHEMBL29922 0.76 HDAC8 (0.48) SMN1; SMN2MAPTALDH1A1HDAC8CES2
Bromide SCHEMBL142435 0.74 HDAC8 (0.46) SMN1; SMN2MAPTALDH1A1HDAC8THRB
SCHEMBL4833163 0.74 TDP1 (0.43) SMN1; SMN2MAPTALDH1A1CYP2D6CYP2C19
SCHEMBL15822329 0.74 HDAC8 (0.46) SMN1; SMN2MAPTALDH1A1CYP2D6CYP2C19
Acetic Acid SCHEMBL149422 0.71 HDAC8 (0.43) SMN1; SMN2MAPTALDH1A1HDAC8THRB
SCHEMBL1724143 0.71 CYP2D6 (0.41) SMN1; SMN2MAPTALDH1A1CYP2D6CYP2C19
SCHEMBL6892803 0.71 SMN1; SMN2 (0.35) SMN1; SMN2MAPTALDH1A1NOTUMCES2
SCHEMBL3786694 0.69 CYP2D6 (0.40) SMN1; SMN2MAPTALDH1A1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440174-B1 AFTERTREATMENT FOR COLOR FIXATION HENKEL AG & CO KGAA (DE) 2014-12-17 EP claimed
EP-0663299-B1 Liquid composition and ink set, and image-forming process and apparatus using the same CANON KK (JP) 2000-08-30 EP claimed
WO-2010130526-A3 HAIR CARE AGENT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO. KGAA (DE) 2012-05-10 WO disclosed
WO-2010130513-A3 HAIR CARE PRODUCT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO. KGAA (DE) 2012-04-19 WO disclosed
EP-2440174-A2 AFTERTREATMENT FOR COLOR FIXATION Henkel AG & Co. KGaA (DE) 2012-04-18 EP disclosed
EP-2429484-A2 HAIR CARE AGENT CONTAINING ACETYLPYRIDINIUM SALTS Henkel AG & Co. KGaA (DE) 2012-03-21 EP disclosed
EP-2429483-A2 HAIR CARE PRODUCT CONTAINING ACETYLPYRIDINIUM SALTS Henkel AG & Co. KGaA (DE) 2012-03-21 EP disclosed
WO-2010130510-A3 HAIR SHAPING PRODUCT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO. KGAA (DE) 2012-02-09 WO disclosed
WO-2010142493-A3 AFTERTREATMENT FOR COLOR FIXATION HENKEL AG & CO. KGAA (DE) 2011-07-14 WO disclosed
WO-2010142493-A2 AFTERTREATMENT FOR COLOR FIXATION HENKEL AG & CO. KGAA (DE) 2010-12-16 WO disclosed
WO-2010130513-A2 HAIR CARE PRODUCT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO. KGAA (DE) 2010-11-18 WO disclosed
WO-2010130526-A2 HAIR CARE AGENT 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