SCHEMBL6937786

SCHEMBL6937786

CC1=C(CCO)SCN1CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
F2R P25116 9/20 0.40
ALOX5 P09917 2/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
HSD17B10 Q99714 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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 SCHEMBL3853734 0.99 CYP3A4 (0.42) CYP3A4MEN1KMT2AF2RALOX5
SCHEMBL3964631 0.84 KMT2A (0.44) CYP3A4MEN1KMT2AF2RALOX5
Bromide SCHEMBL3853603 0.83 KMT2A (0.43) CYP3A4MEN1KMT2AF2RALOX5
Bromide SCHEMBL5015890 0.78 KMT2A (0.41) CYP3A4MEN1KMT2AF2RALOX5
SCHEMBL6937918 0.78 ALDH1A1 (0.41) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL6935010 0.76 RAB9A (0.43) MEN1KMT2AALDH1A1LMNAKDM4E
Bromide SCHEMBL3957516 0.75 RAB9A (0.45) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL3960925 0.74 KMT2A (0.44) CYP3A4MEN1KMT2AF2RALOX5
SCHEMBL6935377 0.74 ALDH1A1 (0.52) MEN1KMT2AALDH1A1LMNAKDM4E
Bromide SCHEMBL3853733 0.73 KMT2A (0.43) CYP3A4MEN1KMT2AF2RALOX5

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 1 patent. 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