SCHEMBL6936019

SCHEMBL6936019

CC1=C(CCO)SCN1CC(=O)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
POLB P06746 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
Bromide SCHEMBL3844692 0.98 ALDH1A1 (0.31) ALDH1A1POLB
SCHEMBL5015374 0.81 TSHR (0.34)
Bromide SCHEMBL2945638 0.80 TSHR (0.33)
SCHEMBL5487478 0.75
SCHEMBL6937918 0.74 ALDH1A1 (0.41) ALDH1A1POLB
SCHEMBL6937786 0.74 CYP3A4 (0.42) ALDH1A1
SCHEMBL6939128 0.72 ALDH1A1 (0.44) ALDH1A1
Bromide SCHEMBL3845044 0.72 SIGMAR1 (0.39)
SCHEMBL6935377 0.71 ALDH1A1 (0.52) ALDH1A1POLB
Bromide SCHEMBL3845002 0.70 CTNNB1 (0.40) ALDH1A1

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