SCHEMBL4636783

SCHEMBL4636783

C[C@@H](CCC(C(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.62
CYP1A2 P05177 1/20 0.62
BLM P54132 1/20 0.52
ACE2 Q9BYF1 1/20 0.48
LTA4H P09960 1/20 0.46
ENPEP Q07075 3/20 0.44
TP53 P04637 1/20 0.42
FOLH1 Q04609 2/20 0.41
NAALAD2 Q9Y3Q0 2/20 0.41
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 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
SCHEMBL17443151 1.00 GABRR1 (0.62) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL5139179 0.90 GABRR1 (0.72) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL6288313 0.86 BLM (0.58) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL29082 0.86 BLM (0.64) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL28123 0.83 ENPEP (0.55) GABRR1CYP1A2ENPEPFOLH1CHRM1
SCHEMBL7179523 0.81 BLM (0.65) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL580558 0.81 BLM (0.65) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL5860242 0.81 SLC1A3 (0.48) GABRR1CYP1A2BLMENPEPTP53
SCHEMBL233225 0.81 BLM (0.73) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL16330413 0.81 BLM (0.65) GABRR1CYP1A2BLMACE2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937878-A2 HIGH CRIMP BICOMPONENT FIBERS E.I.Du pont de nemours and company (US) 2008-07-02 EP disclosed
WO-2007035740-A2 HIGH CRIMP BICOMPONENT FIBERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-03-29 WO disclosed