SCHEMBL7323723

SCHEMBL7323723

CCOC(=O)C(Oc1ccccc1C)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
PIN1 Q13526 1/20 0.45
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MMP8 P22894 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 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
SCHEMBL9204703 0.84 L3MBTL1 (0.54) TDP1ALDH1A1PIN1TSHRMEN1
SCHEMBL5124456 0.84 TDP1 (0.55) TDP1ALDH1A1HTTPIN1TSHR
SCHEMBL628126 0.84 KMT2A (0.53) TDP1PIN1TSHRMEN1NPC1
SCHEMBL9205212 0.84 ALDH1A1 (0.50) TDP1ALDH1A1PIN1TSHRMEN1
SCHEMBL29213724 0.83 TDP1 (0.54) TDP1ALDH1A1HTTPIN1TSHR
SCHEMBL7323206 0.83 ALDH1A1 (0.48) TDP1ALDH1A1HTTPIN1TSHR
SCHEMBL29249526 0.83 TDP1 (0.54) TDP1ALDH1A1HTTPIN1TSHR
SCHEMBL10390030 0.80 TSHR (0.51) TDP1ALDH1A1TSHRMEN1KMT2A
SCHEMBL14026722 0.80 KMT2A (0.41) TDP1ALDH1A1PIN1TSHRMEN1
SCHEMBL9204917 0.80 TSHR (0.44) TDP1ALDH1A1HTTPIN1TSHR

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