SCHEMBL6937535

SCHEMBL6937535

CC(=O)OCCC1=C(C)N(CC(N)=O)CS1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL6939905 0.85 LMNA (0.31) TSHRALDH1A1
Bromide SCHEMBL7400583 0.80 TSHR (0.33) TSHR
SCHEMBL7623617 0.73 CHRM5 (0.32) TSHRALDH1A1
SCHEMBL3964409 0.72 TSHR (0.39) TSHR
Bromide SCHEMBL2954190 0.71 TSHR (0.38) TSHR
SCHEMBL64593 0.60 ALDH1A1 (0.68) TSHRALDH1A1
SCHEMBL12027289 0.59 ALDH1A1 (0.45) TSHRALDH1A1
SCHEMBL7371039 0.59 ALDH1A1 (0.54) TSHRALDH1A1
Hydrochloric Acid SCHEMBL3848934 0.59
Cyclohexane SCHEMBL8927660 0.58 ALDH1A1 (0.59) TSHRALDH1A1

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