SCHEMBL10397476

SCHEMBL10397476

C=CCN(CC=C)NC(=O)CCCCCCCCCCCCCCCCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.57
HSP90AA1 P07900 1/20 0.48
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
DNM1 Q05193 3/20 0.44
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41

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
Bromide SCHEMBL29169640 0.91 FAAH (0.55) FAAHHSP90AA1TSHRMEN1MAPK1
Bromide SCHEMBL29169641 0.91 FAAH (0.55) FAAHHSP90AA1TSHRMEN1MAPK1
SCHEMBL28078556 0.80 HSP90AA1 (0.57) FAAHHSP90AA1TSHRMEN1MAPK1
SCHEMBL27207914 0.80 HSP90AA1 (0.57) FAAHHSP90AA1TSHRMEN1MAPK1
SCHEMBL29255877 0.80 HSP90AA1 (0.57) FAAHHSP90AA1TSHRMEN1MAPK1
SCHEMBL29255920 0.80 HSP90AA1 (0.57) FAAHHSP90AA1TSHRMEN1MAPK1
SCHEMBL4312642 0.80 HSP90AA1 (0.57) FAAHHSP90AA1TSHRMEN1MAPK1
SCHEMBL28094643 0.80 HSP90AA1 (0.57) FAAHHSP90AA1TSHRMEN1MAPK1
SCHEMBL28987996 0.78 HSP90AA1 (0.55) FAAHHSP90AA1TSHRMEN1MAPK1
SCHEMBL17105834 0.78 HSP90AA1 (0.55) FAAHHSP90AA1TSHRMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4906413-A Diquaternary ammonium salts and the use thereof as textile finishing agents CIBA-GEIGY CORPORATION (US) 1990-03-06 US disclosed