SCHEMBL1734657

SCHEMBL1734657

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCOCCOCCOCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
MEN1 O00255 1/20 0.58
THRB P10828 1/20 0.58
KMT2A Q03164 1/20 0.58
MAPT P10636 1/20 0.58
LMNA P02545 1/20 0.50
USP2 O75604 1/20 0.45
CES2 O00748 2/20 0.43
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PLA2G2C Q5R387 1/20 0.41
SPHK1 Q9NYA1 1/20 0.40
PLA2G2A P14555 1/20 0.40
CES1 P23141 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
SCHEMBL30585300 0.98 HTT (0.54) HTTMEN1THRBKMT2AMAPT
SCHEMBL30198787 0.98 HTT (0.54) HTTMEN1THRBKMT2AMAPT
SCHEMBL31188608 0.98 HTT (0.54) HTTMEN1THRBKMT2AMAPT
SCHEMBL1734748 0.98 HTT (0.54) HTTMEN1THRBKMT2AMAPT
SCHEMBL9218954 0.98 HTT (0.54) HTTMEN1THRBKMT2AMAPT
SCHEMBL30198860 0.95 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL25730130 0.93 HTT (0.56) HTTMEN1THRBKMT2AMAPT
SCHEMBL14958033 0.93 HTT (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL30198788 0.93 HTT (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL28668146 0.93 CYP3A4 (0.48) HTTMEN1THRBKMT2AMAPT

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-1778363-B1 STABLE GEL-FORMULATION WITH INCREASED ELECTROLYTE CONCENTRATION HENKEL AG & CO KGAA (DE) 2012-08-01 EP claimed
EP-1986590-B1 RHEOPEXY GELS AS VEHICLES HENKEL AG & CO KGAA (DE) 2011-11-16 EP claimed
WO-2011131915-A2 DEVICE FOR SHUTTING OFF A CONTROL SYSTEM BAY WITH PROXIMITY SENSOR NAVAG (FR) 2011-10-27 WO claimed
EP-1035825-B2 HAIR COLORANT PREPARATION HENKEL AG & CO KGAA (DE) 2008-09-24 EP claimed
EP-1035825-B1 HAIR COLORANT PREPARATION HENKEL KGAA (DE) 2002-09-25 EP claimed