SCHEMBL7475116

SCHEMBL7475116

O=C(O)COc1ccccc1-c1nccs1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.68
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
SLC6A9 P48067 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GLA P06280 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
PDPK1 O15530 1/20 0.45
TRPM4 Q8TD43 1/20 0.44
PTGDR Q13258 1/20 0.44
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL7470034 0.87 PTGDR2 (0.53) PTGDR2ADRA1DADRA1AADRA1BSLC6A9
SCHEMBL21276512 0.81 PTGDR2 (0.62) PTGDR2SLC6A9TDP1PTGDR
SCHEMBL31562226 0.79 PTGDR2 (0.49) PTGDR2ADRA1DADRA1AADRA1BSLC6A9
SCHEMBL8040223 0.79 ADRA1D (0.61) PTGDR2ADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL28304414 0.78 ADRA1A (0.57) PTGDR2ADRA1DADRA1AADRA1BSLC6A9
SCHEMBL4466164 0.78 ADRA1D (0.47) PTGDR2ADRA1DADRA1AADRA1BSLC6A9
SCHEMBL28579044 0.77 ADRA1A (0.55) PTGDR2ADRA1DADRA1AADRA1BSLC6A9
SCHEMBL5396495 0.74 ADRA1D (0.52) ADRA1DADRA1AADRA1BSMN1; SMN2MEN1
SCHEMBL29715238 0.74 ADRA1D (0.52) ADRA1DADRA1AADRA1BSMN1; SMN2MEN1
SCHEMBL9958680 0.74 ADRA1D (0.44) PTGDR2ADRA1DADRA1AADRA1BSLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871619-B1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMA (US) 2002-11-06 EP claimed
EP-0871619-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1998-10-21 EP claimed
WO-1997024343-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-07-10 WO claimed
EP-0871619-B1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMA (US) 2002-11-06 EP disclosed
US-6057451-A AMINOTHIAZOLE DERIVATIVES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-05-02 US disclosed
EP-0871619-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1998-10-21 EP disclosed
WO-1997024343-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-07-10 WO disclosed