SCHEMBL5081835

SCHEMBL5081835

CCCCCCCCN(CC#N)CCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 3/20 0.49
ZDHHC2 Q9UIJ5 1/20 0.49
DNM1 Q05193 3/20 0.44
TSHR P16473 2/20 0.40
CYP1A2 P05177 2/20 0.39
MAPK1 P28482 1/20 0.39
KCNH2 Q12809 7/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL4170086 1.00 ZDHHC20 (0.49) ZDHHC20ZDHHC2DNM1TSHRCYP1A2
SCHEMBL11023925 0.93 ZDHHC20 (0.46) ZDHHC20ZDHHC2DNM1TSHRCYP1A2
SCHEMBL10646289 0.91 KCNH2 (0.47) ZDHHC20ZDHHC2DNM1KCNH2
SCHEMBL240366 0.90 TSHR (0.43) ZDHHC20ZDHHC2TSHRCYP1A2MAPK1
SCHEMBL19497014 0.88 TSHR (0.42) ZDHHC20ZDHHC2TSHRCYP1A2MAPK1
SCHEMBL19999960 0.85 TSHR (0.43) ZDHHC20ZDHHC2TSHRCYP1A2MAPK1
SCHEMBL31264715 0.83 CYP1A2 (0.41) ZDHHC20ZDHHC2CYP1A2MAPK1KCNH2
SCHEMBL11143458 0.82 ZDHHC20 (0.51) ZDHHC20ZDHHC2DNM1TSHRCYP1A2
SCHEMBL4173370 0.82 CYP1A2 (0.48) ZDHHC20ZDHHC2TSHRCYP1A2MAPK1
SCHEMBL21467473 0.81 KCNH2 (0.44) ZDHHC20ZDHHC2TSHRCYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487955-B1 AMMONIUM NITRILES AND THE USE THEREOF AS HYDROPHOBIC BLEACHING ACTIVATORS CLARIANT PRODUKTE DEUTSCHLAND (DE) 2008-05-21 EP disclosed
US-7015185-B2 Ammonium nitriles and the use thereof as hydrophobic bleaching activators CLARIANT GMBH (DE) 2006-03-21 US disclosed
US-20040266644-A1 Ammonium nitriles and the use thereof as hydrophobic bleaching activators CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2004-12-30 US disclosed
EP-1487955-A1 AMMONIUM NITRILES AND THE USE THEREOF AS HYDROPHOBIC BLEACHING ACTIVATORS Clariant GmbH (DE) 2004-12-22 EP disclosed
WO-2003078561-A1 AMMONIUM NITRILES AND THE USE THEREOF AS HYDROPHOBIC BLEACHING ACTIVATORS CLARIANT GMBH (DE) 2003-09-25 WO disclosed