SCHEMBL9017649

SCHEMBL9017649

[CH2]CNCCC(C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.52
CYP1A2 P05177 1/20 0.46
BLM P54132 1/20 0.41
ACE2 Q9BYF1 1/20 0.38
LTA4H P09960 1/20 0.37
NAALAD2 Q9Y3Q0 3/20 0.36
FOLH1 Q04609 2/20 0.36
ENPEP Q07075 2/20 0.32
LMNA P02545 1/20 0.32
APAF1 O14727 1/20 0.32
TP53 P04637 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
SCHEMBL20734556 0.86 GABRR1 (0.61) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL13700412 0.80 GABRR1 (0.54) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL11663794 0.78 GABRR1 (0.47) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL5139179 0.75 GABRR1 (0.72) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL22166664 0.75 ACE2 (0.53) GABRR1CYP1A2BLMACE2
SCHEMBL22134234 0.75
SCHEMBL17017527 0.74 GABRR1 (0.52) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL297723 0.74
Hydrochloric Acid SCHEMBL27608648 0.73 GABRR1 (0.56) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL5131552 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516869-A Amino acid functionalized silicones and method for preparation GENERAL ELECTRIC COMPANY (US) 1996-05-14 US disclosed
US-5399653-A Amino acid functionalized silicones and method for preparation GENERAL ELECTRIC COMPANY (US) 1995-03-21 US disclosed
EP-0594285-A2 Amino acid functionalized silicones GENERAL ELECTRIC COMPANY (US) 1994-04-27 EP disclosed
US-5272241-A Amino acid functionalized silicones and method for preparation GENERAL ELECTRIC COMPANY (US) 1993-12-21 US disclosed