SCHEMBL1648294

SCHEMBL1648294

CCCCOC(=O)c1c(C[S+]([O-])c2ccccc2)ccc(-c2ccoc2)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.38
TSHR P16473 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PPARG P37231 2/20 0.37
EGFR P00533 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPK1 P28482 3/20 0.35
CYP3A4 P08684 2/20 0.35
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
TUBB4A P04350 3/20 0.33
TUBB P07437 3/20 0.33
TUBA3C P0DPH7 3/20 0.33
TUBA1B P68363 3/20 0.33
TUBA4A P68366 3/20 0.33

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
SCHEMBL18801327 0.91 PPARG (0.41) METAP2TDP1PPARGALDH1A1CYP3A4
SCHEMBL1648265 0.88 METAP2 (0.44) METAP2TDP1PPARGALDH1A1CYP3A4
SCHEMBL18801147 0.86 METAP2 (0.48) METAP2TDP1PPARGALDH1A1CYP3A4
SCHEMBL18801446 0.82 METAP2 (0.35) METAP2TSHRPPARGCYP3A4CYP1A2
SCHEMBL1650137 0.82 METAP2 (0.37) METAP2TSHRTDP1L3MBTL1PPARG
SCHEMBL18801296 0.80 METAP2 (0.38) METAP2TSHRPPARGMAPK1CYP3A4
SCHEMBL18801422 0.80 ALDH1A1 (0.41) TSHRTDP1L3MBTL1PPARGALDH1A1
SCHEMBL18801334 0.80 EGFR (0.38) METAP2PPARGEGFRALDH1A1SMN1; SMN2
SCHEMBL18801077 0.77 METAP2 (0.44) METAP2TSHRPPARGALDH1A1CYP3A4
SCHEMBL18801299 0.76 METAP2 (0.38) METAP2PPARGEGFRALDH1A1SMN1; SMN2

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-2486004-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME Zafgen Corporation (US) 2012-08-15 EP disclosed
WO-2011044506-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2011-04-14 WO disclosed