SCHEMBL6189926

SCHEMBL6189926

Fc1ccccc1-c1ccc(CC(=S)N2CCOCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.71
FAAH O00519 4/20 0.71
ALDH1A1 P00352 5/20 0.58
MAPT P10636 5/20 0.54
HPGD P15428 3/20 0.54
APOBEC3G Q9HC16 2/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.48
CYP2C19 P33261 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FKBP1A P62942 1/20 0.43

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
SCHEMBL19380615 0.83 MGLL (1.00) MGLLFAAHALDH1A1MAPTHPGD
SCHEMBL1108678 0.80 MGLL (0.82) MGLLFAAHALDH1A1MAPTHPGD
SCHEMBL29411384 0.75 FKBP1A (0.56) ALDH1A1MAPTKMT2AMEN1TSHR
SCHEMBL21045163 0.75 FKBP1A (0.56) ALDH1A1MAPTKMT2AMEN1TSHR
SCHEMBL4397261 0.74 ALDH1A1 (1.00) MGLLFAAHALDH1A1MAPTHPGD
SCHEMBL4399380 0.74 ALDH1A1 (1.00) MGLLFAAHALDH1A1MAPTHPGD
SCHEMBL6380824 0.74 MGLL (0.72) MGLLFAAHALDH1A1MAPTHPGD
SCHEMBL13952297 0.74 HPGD (0.60) ALDH1A1HPGDTSHR
SCHEMBL14710213 0.73 MGLL (0.58) MGLLFAAHALDH1A1MAPTHPGD
SCHEMBL13096431 0.72 POLB (0.64) ALDH1A1HPGDGAAKMT2AMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979226-B1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMA (JP) 2005-11-09 EP disclosed
US-6100260-A ((3-(1-(2-FLUORO-BIPHENYL-4-YL)-ETHYL)-ISOXAZOL-5-YLIMINO) -MORPHOLIN-4-YL-M ETHYL)-AMINE, FOR EXAMPLE; ADMINISTERING TO TREAT AUTOIMMUNE DISEASES AND INFLAMMATION SUMITOMO PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-08 US disclosed
EP-0979226-A1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-02-16 EP disclosed
WO-1998047880-A1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-10-29 WO disclosed