SCHEMBL6932935

SCHEMBL6932935

CC(C)(C)c1cc(C(=O)CN2CSc3ccccc32)cc(C(C)(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 10/20 0.48
MAOB P27338 3/20 0.41
SLC22A12 Q96S37 1/20 0.41
ALOX5 P09917 2/20 0.41
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BCHE P06276 2/20 0.41
MAOA P21397 2/20 0.41
ACHE P22303 2/20 0.41
TNFRSF1A P19438 1/20 0.39

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
Bromide SCHEMBL3844602 0.99 F2R (0.47) F2RMAOBSLC22A12ALOX5PTGS1
SCHEMBL6939772 0.79 ALDH1A1 (0.46) MEN1KMT2ABCHEACHE
Bromide SCHEMBL27893556 0.78 ALDH1A1 (0.48) MEN1KMT2ABCHEACHE
Bromide SCHEMBL2954116 0.78 ALDH1A1 (0.48) MEN1KMT2ABCHEACHE
SCHEMBL3964631 0.78 KMT2A (0.44) F2RALOX5PTGS1PTGS2MEN1
Bromide SCHEMBL3853603 0.77 KMT2A (0.43) F2RALOX5PTGS1PTGS2MEN1
SCHEMBL6939314 0.75 GSK3B (0.47) KMT2ABCHE
SCHEMBL6937921 0.74 MAPT (0.53) BCHEACHE
Bromide SCHEMBL3854344 0.74 MAPT (0.48) BCHE
SCHEMBL6937786 0.73 CYP3A4 (0.42) F2RALOX5PTGS1PTGS2MEN1

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-0808163-B1 USE OF THIAZOLIUM COMPOUNDS FOR PREVENTING AND REVERSING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS ALTEON INC (US) 2003-07-23 EP claimed
US-6440749-B1 ADMINISTERING A THIAZOLE COMPOUND ALTEON. INC. 2002-08-27 US claimed