SCHEMBL1845987

SCHEMBL1845987

C=CCN1CC=CC=C1C(C)=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL1723728 0.81
SCHEMBL8189282 0.77 CYP3A4 (0.32)
SCHEMBL4796793 0.75
SCHEMBL9351591 0.74
SCHEMBL1845751 0.72
SCHEMBL18274686 0.72
SCHEMBL3959327 0.72 GRIA1 (0.35)
SCHEMBL7131898 0.71
SCHEMBL9578304 0.69 NOTUM (0.31)
SCHEMBL4913246 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2014095179-A2 GENTLE OXIDATIVE HAIR TREATMENT WITH SILICONE PRE-TREATMENT AND BLEACHING FORCE INTENSIFIER HENKEL AG & CO. KGAA (DE) 2014-06-26 WO disclosed
WO-2014095182-A2 GENTLE OXIDATIVE HAIR TREATMENT WITH SPECIAL SILICONE AFTER-TREATMENT HENKEL AG & CO. KGAA (DE) 2014-06-26 WO disclosed
EP-2320854-A2 BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES Henkel AG & Co. KGaA (DE) 2011-05-18 EP disclosed
WO-2010029006-A2 BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES HENKEL AG & CO. KGAA (DE) 2010-03-18 WO disclosed