SCHEMBL9545967

SCHEMBL9545967

COC(=O)CCC(=O)c1ccc(C)cc1CS

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
HSD17B10 Q99714 3/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
TSHR P16473 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 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
SCHEMBL11582961 0.80 IDO1 (0.58) MAPTHSD17B10KMT2AHTTALDH1A1
SCHEMBL9806994 0.79 KMT2A (0.47) MAPTHSD17B10KMT2AHTTALDH1A1
SCHEMBL11583141 0.77 KMT2A (0.52) MAPTHSD17B10KMT2AHTTALDH1A1
SCHEMBL7204205 0.72 NPC1 (0.47) MAPTKMT2AHTTALDH1A1LMNA
SCHEMBL16796728 0.71 KMT2A (0.61) MAPTHSD17B10KMT2AHTTALDH1A1
SCHEMBL8535748 0.71 KMT2A (0.63) MAPTHSD17B10KMT2AHTTALDH1A1
SCHEMBL5348731 0.70 TAAR1 (0.50) MAPTHSD17B10KMT2AHTTALDH1A1
SCHEMBL27383378 0.69 AMY1A (0.46) MAPTHSD17B10KMT2AHTTALDH1A1
SCHEMBL22868041 0.69 CTNNB1 (0.66) MAPTHSD17B10KMT2AHTTALDH1A1
SCHEMBL1134320 0.69 HTT (0.59) MAPTHSD17B10KMT2AHTTALDH1A1

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
JP-5051358-A None JP disclosed
JP-H0551358-A 3-BENZOYLPROPIONIC ACID DERIVATIVE TAISHO PHARMACEUT CO LTD 1993-03-02 JP disclosed