SCHEMBL17048008

SCHEMBL17048008

C=C(C)C(CC=CC)CCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.43
GRIK2 Q13002 2/20 0.43
FOLH1 Q04609 9/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
BLM P54132 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36

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
SCHEMBL17048005 1.00 GRIK1 (0.43) GRIK1GRIK2FOLH1SLC6A2SLC6A4
SCHEMBL28663266 0.81 GRIK1 (0.43) GRIK1GRIK2FOLH1SLC6A2SLC6A4
SCHEMBL2574697 0.81 GRIK1 (0.43) GRIK1GRIK2FOLH1SLC6A2SLC6A4
SCHEMBL12189679 0.76 FOLH1 (0.61) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL7603209 0.74 GRIK1 (0.37) GRIK1GRIK2
SCHEMBL28753805 0.73 FNTA (0.36) FOLH1
SCHEMBL29766225 0.72 GABRP (0.46) GRIK1GRIK2FOLH1SLC6A2SLC6A4
SCHEMBL24180320 0.72 FOLH1 (0.41) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL11374135 0.72 GRIK1 (0.53) GRIK1GRIK2FOLH1
SCHEMBL12872782 0.71 TET2 (0.41) GRIK1GRIK2FOLH1SLC6A2SLC6A4

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-2015128428-A1 PHEROMONE DISPENSER MADE OF PLASTIC MATERIAL BASF SE (DE) 2015-09-03 WO disclosed