SCHEMBL1039613

SCHEMBL1039613

NCCCCC1(C(=O)O)CCCC1O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 13/20 0.40
ARG1 P05089 3/20 0.32
ARG2 P78540 2/20 0.32
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 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
SCHEMBL6060651 0.83 AKT1 (0.37)
SCHEMBL1044578 0.83
SCHEMBL6060680 0.82 AKT1 (0.38)
SCHEMBL1043822 0.81
SCHEMBL6059855 0.81 AKT1 (0.33)
SCHEMBL6060418 0.77 CYP1A2 (0.33)
SCHEMBL3783443 0.77 CPB2 (0.34) CPB2ARG1ARG2
Hydrochloric Acid SCHEMBL3773547 0.75 CPB2 (0.33) CPB2ARG1ARG2
SCHEMBL3776673 0.75 CPB2 (0.40) CPB2
Trifluoroacetic Acid SCHEMBL3780429 0.75 CPB2 (0.46) CPB2

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-2272826-A1 2-mercaptopentancarboxylic acid derivatives, the method for preparing them and the pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2011-01-12 EP disclosed
WO-2010149888-A1 DERIVATIVES OF 2-MERCAPTOCYCLOPENTANE CARBOXYLIC ACID, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME LES LABORATOIRES SERVIER (FR) 2010-12-29 WO disclosed