SCHEMBL6154518

SCHEMBL6154518

Cc1ccc(S(=O)(=O)OC(C(=O)OC(C)(C)C)C(C)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.38
XBP1 P17861 1/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP13 P45452 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
GAA P10253 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP24A1 Q07973 1/20 0.34

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
SCHEMBL7412821 0.85 KMT2A (0.41) KMT2AMEN1ALDH1A1TDP1XBP1
SCHEMBL7366077 0.85 KMT2A (0.41) KMT2AMEN1ALDH1A1TDP1XBP1
SCHEMBL6154457 0.84 KMT2A (0.43) KMT2AMEN1ALDH1A1TDP1LMNA
SCHEMBL6157269 0.82 KMT2A (0.44) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL6156149 0.82 MMP9 (0.42) KMT2AMEN1ALDH1A1TDP1LMNA
SCHEMBL6157248 0.79 KMT2A (0.39) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL6155444 0.79 KMT2A (0.39) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL8770455 0.78 P2RX7 (0.43) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL27628888 0.78 KCNA5 (0.39) KMT2AMEN1ALDH1A1LMNAMAPK1
SCHEMBL6155399 0.77 PLA2G2C (0.41) KMT2AMEN1ALDH1A1TDP1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970947-B1 PROCESS FOR PRODUCING BUTYRIC ESTER DERIVATIVES KANEKA CORP (JP) 2005-01-26 EP disclosed
US-6140527-A Process for producing butyric ester derivatives KANEKA CORPORATION (JP) 2000-10-31 US disclosed
EP-0970947-A1 PROCESS FOR PRODUCING BUTYRIC ESTER DERIVATIVES KANEKA CORPORATION (JP) 2000-01-12 EP disclosed