SCHEMBL8768543

SCHEMBL8768543

CC(OC(=O)SC(C)c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.51
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.39
FFAR1 O14842 1/20 0.39
LPAR1 Q92633 2/20 0.38
LPAR3 Q9UBY5 1/20 0.38
CYP3A4 P08684 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRA6 Q16445 1/20 0.37
ALOX5 P09917 1/20 0.37
OPRM1 P35372 3/20 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
SCHEMBL1694877 0.77 HCAR2 (0.61) HCAR2ALDH1A1HSD17B10TP53KMT2A
SCHEMBL3786370 0.77 HCAR2 (0.61) HCAR2ALDH1A1HSD17B10TP53KMT2A
SCHEMBL8088686 0.77 HCAR2 (0.61) HCAR2ALDH1A1HSD17B10TP53HTT
SCHEMBL3625234 0.77 HCAR2 (0.61) HCAR2ALDH1A1HSD17B10TP53HTT
SCHEMBL3786371 0.77 HCAR2 (0.61) HCAR2ALDH1A1HSD17B10TP53HTT
SCHEMBL3625229 0.77 HCAR2 (0.61) HCAR2ALDH1A1HSD17B10TP53KMT2A
SCHEMBL871943 0.77 HCAR2 (0.61) HCAR2ALDH1A1HSD17B10TP53HTT
SCHEMBL114793 0.75 HCAR2 (0.59) HCAR2ALDH1A1HSD17B10TP53KMT2A
SCHEMBL6392245 0.75 HCAR2 (0.59) HCAR2ALDH1A1HSD17B10TP53KMT2A
SCHEMBL25961164 0.75 HCAR2 (0.59) HCAR2ALDH1A1HSD17B10TP53HTT

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-0633241-B1 Process for purifying diaryl carbonates GEN ELECTRIC (US) 1997-09-10 EP disclosed