SCHEMBL8997657

SCHEMBL8997657

C=COCCOCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
MEN1 O00255 1/20 0.54
THRB P10828 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPT P10636 1/20 0.54
CES2 O00748 2/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.40
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
CES1 P23141 1/20 0.37
PLA2G2C Q5R387 1/20 0.36

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
SCHEMBL13609157 1.00 HTT (0.54) HTTMEN1THRBKMT2AMAPT
SCHEMBL30960411 1.00 HTT (0.54) HTTMEN1THRBKMT2AMAPT
SCHEMBL27690966 1.00 HTT (0.54) HTTMEN1THRBKMT2AMAPT
SCHEMBL27995107 1.00 HTT (0.54) HTTMEN1THRBKMT2AMAPT
SCHEMBL3937310 1.00 HTT (0.54) HTTMEN1THRBKMT2AMAPT
SCHEMBL686629 1.00 HTT (0.54) HTTMEN1THRBKMT2AMAPT
SCHEMBL28299172 0.98 HTT (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL28259319 0.96 THRB (0.48) HTTMEN1THRBKMT2AMAPT
Fluoride SCHEMBL27712427 0.96 HTT (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL29259522 0.93 HTT (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991011505-A1 LIQUID HARD SURFACE DETERGENT COMPOSITIONS CONTAINING ZWITTERIONIC DETERGENT SURFACTANT AND MONOETHANOLAMINE AND/OR BETA-AMINOALKANOL THE PROCTER & GAMBLE COMPANY (US) 1991-08-08 WO claimed
EP-0728177-A1 LIQUID HARD SURFACE DETERGENT COMPOSITIONS CONTAINING AMPHOTERIC DETERGENT SURFACTANT AND PERFUME THE PROCTER & GAMBLE COMPANY (US) 1996-08-28 EP disclosed
WO-1995013345-A1 LIQUID HARD SURFACE DETERGENT COMPOSITIONS CONTAINING AMPHOTERIC DETERGENT SURFACTANT AND PERFUME THE PROCTER & GAMBLE COMPANY (US) 1995-05-18 WO disclosed