SCHEMBL8445605

SCHEMBL8445605

CCCC(C#N)(CCC(O)O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.34
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
AR P10275 2/20 0.32
KIF11 P52732 1/20 0.31
PDE2A O00408 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
SCHEMBL7749382 0.86 SLC6A4 (0.35) CASP1HSD17B10TSHRSLC6A2SLC6A4
SCHEMBL16691418 0.77 L3MBTL1 (0.41) CASP1HSD17B10TSHR
SCHEMBL8445608 0.74 TSHR (0.40) CASP1HSD17B10TSHRARKIF11
SCHEMBL11536457 0.72 CASP1 (0.37) CASP1HSD17B10TSHRSLC6A2SLC6A4
SCHEMBL7752071 0.72 CASP1 (0.35) CASP1HSD17B10TSHRSLC6A2SLC6A4
SCHEMBL6139367 0.71 TSHR (0.38) CASP1HSD17B10TSHRKIF11
SCHEMBL7750623 0.71 SMN1; SMN2 (0.39) CASP1HSD17B10TSHRSLC6A2SLC6A4
SCHEMBL3519610 0.70 L3MBTL1 (0.45) CASP1HSD17B10TSHR
SCHEMBL7749385 0.69 KIF11 (0.38) CASP1HSD17B10TSHRKIF11
SCHEMBL5879396 0.69 SIGMAR1 (0.36) CASP1HSD17B10TSHRKIF11

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-0888304-A1 SUBSTITUTED 3-ARYL-3-CARBOXYALKYL GLUTARAMIDES, METHOD FOR PREPARING SAME BY 4-ARYLO-4-CYANOHEPTANE DICARBOXYLIC ACID CYCLISATION, AND USE THEREOF FOR PREPARING 3-ARYL-3-HYDROXYALKYLPIPERIDINES SANOFI (FR) 1999-01-07 EP claimed
WO-1997032852-A1 SUBSTITUTED 3-ARYL-3-CARBOXYALKYL GLUTARAMIDES, METHOD FOR PREPARING SAME BY 4-ARYLO-4-CYANOHEPTANE DICARBOXYLIC ACID CYCLISATION, AND USE THEREOF FOR PREPARING 3-ARYL-3-HYDROXYALKYLPIPERIDINES SANOFI (FR) 1997-09-12 WO claimed