SCHEMBL18737643

SCHEMBL18737643

Cc1ccc(S(=O)(=O)OC(C)C[C@@H](C)OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
ALDH1A1 P00352 6/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GBA1 P04062 1/20 0.42
CA2 P00918 6/20 0.42
CA1 P00915 5/20 0.42
CA9 Q16790 4/20 0.42
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
VDR P11473 1/20 0.41
TSHR P16473 1/20 0.41
TLR9 Q9NR96 1/20 0.41

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
SCHEMBL14778372 1.00 GAA (0.45) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL16424498 1.00 GAA (0.45) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL17404667 1.00 GAA (0.45) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL5831287 1.00 GAA (0.45) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL14778447 0.94 CA2 (0.46) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL18718195 0.94 CA2 (0.46) GAAALDH1A1CYP3A4CYP2C9CYP2C19
Phosphine SCHEMBL3415127 0.93 CA2 (0.45) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL863216 0.90 ALDH1A1 (0.41) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL10482932 0.90 ALDH1A1 (0.41) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL840437 0.90 ALDH1A1 (0.41) GAAALDH1A1CYP3A4CYP2C9CYP2C19

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
US-20170101494-A1 POLYMERIZATIONS FOR OLEFIN-BASED POLYMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2017-04-13 US disclosed