SCHEMBL6155399

SCHEMBL6155399

CCCCOC(=O)C(OS(=O)(=O)c1ccc(C)cc1)C(C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.41
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
ALB P02768 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 2/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CA12 O43570 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
ENPP1 P22413 1/20 0.37
STS P08842 1/20 0.36
NPC1 O15118 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
SCHEMBL6157248 0.92 KMT2A (0.39) PLA2G2CALDH1A1TSHRLMNAKMT2A
SCHEMBL6157269 0.88 KMT2A (0.44) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL28453248 0.86 ALDH1A1 (0.41) PLA2G2CALDH1A1TSHRTDP1LMNA
SCHEMBL28453243 0.86 ALDH1A1 (0.41) PLA2G2CALDH1A1TSHRTDP1LMNA
SCHEMBL12659567 0.82 ALDH1A1 (0.38) PLA2G2CALDH1A1TSHRTDP1LMNA
SCHEMBL6155444 0.81 KMT2A (0.39) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL6154457 0.80 KMT2A (0.43) ALDH1A1TDP1LMNAKMT2AMEN1
SCHEMBL28153632 0.80 TSHR (0.41) ALDH1A1TSHRTDP1LMNAHPGD
SCHEMBL6156149 0.79 MMP9 (0.42) ALDH1A1TDP1LMNAKMT2AMEN1
SCHEMBL7067264 0.79 PLA2G2C (0.39) PLA2G2CALDH1A1TSHRTDP1LMNA

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