SCHEMBL7335121

SCHEMBL7335121

CCOc1ccccc1OC(C(=O)OC)C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.53
GLA P06280 1/20 0.53
HCRTR1 O43613 2/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 1/20 0.47
ALOX15 P16050 1/20 0.46
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2C19 P33261 1/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL9204703 0.88 L3MBTL1 (0.54) L3MBTL1GLAHCRTR1GAAKDM4E
SCHEMBL9424144 0.83 L3MBTL1 (0.61) L3MBTL1GLAHCRTR1GAAKDM4E
SCHEMBL29770500 0.82 KMT2A (0.58) KDM4EKMT2ANPSR1ALDH1A1LMNA
SCHEMBL628822 0.82 KMT2A (0.58) KDM4EKMT2ANPSR1ALDH1A1LMNA
SCHEMBL17997506 0.82 MAPK1 (0.56) L3MBTL1KDM4EMAPTNPSR1TSHR
SCHEMBL14278560 0.81 ALDH1A1 (0.44) L3MBTL1KMT2AMAPTNPSR1TSHR
SCHEMBL628126 0.78 KMT2A (0.53) GAAKDM4EKMT2AMAPTTSHR
SCHEMBL29315365 0.77 L3MBTL1 (0.58) L3MBTL1GLAHCRTR1GAAKDM4E
SCHEMBL13430563 0.77 MTNR1A (0.41) L3MBTL1KDM4EKMT2AMAPTALDH1A1
SCHEMBL13430584 0.77 KMT2A (0.47) KDM4EKMT2ANPSR1ALDH1A1HPGD

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-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP disclosed