SCHEMBL22022014

SCHEMBL22022014

Cc1ccc(CCC(=S)NCCCCC(N)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 2/20 0.45
PLAAT5 Q96KN8 2/20 0.45
PLAAT2 Q9NWW9 2/20 0.45
PLAAT4 Q9UL19 2/20 0.45
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALB P02768 3/20 0.41
SIRT2 Q8IXJ6 2/20 0.40
SIRT1 Q96EB6 1/20 0.40
SLC5A1 P13866 1/20 0.40
TGM2 P21980 1/20 0.40
KIF11 P52732 3/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
FFAR1 O14842 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
SCHEMBL22021344 0.94 PLAAT3 (0.48) PLAAT3PLAAT5PLAAT2PLAAT4CA12
SCHEMBL19929588 0.88 PLAAT3 (0.40) PLAAT3PLAAT5PLAAT2PLAAT4CA12
SCHEMBL19929582 0.88 FOLH1 (0.41) PLAAT3PLAAT5PLAAT2PLAAT4CA12
SCHEMBL19929581 0.88 CA12 (0.39) PLAAT3PLAAT5PLAAT2PLAAT4CA12
SCHEMBL19929583 0.88 CA12 (0.39) PLAAT3PLAAT5PLAAT2PLAAT4CA12
SCHEMBL19933029 0.88 ALB (0.49) CA12CA1CA2CA9ALB
SCHEMBL22021352 0.84 CA1 (0.44) PLAAT3PLAAT5PLAAT2PLAAT4CA12
SCHEMBL24253361 0.84 ALB (0.56) PLAAT3PLAAT5PLAAT2PLAAT4ALB
SCHEMBL22021340 0.84 ALB (0.45) ALB
SCHEMBL19011013 0.84 ALB (0.56) PLAAT3PLAAT5PLAAT2PLAAT4ALB

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
WO-2020102348-A1 THIOAMIDE-CONTAINING COMPOSITIONS AND METHODS OF USE THEREOF DIMAGNO STEPHEN (US) 2020-05-22 WO disclosed