SCHEMBL17844325

SCHEMBL17844325

COC(=O)c1ccc(OCCc2ccccc2)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.57
LMNA P02545 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
XDH P47989 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ALDH1A1 P00352 1/20 0.48
MGLL Q99685 1/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 1/20 0.48
LNPEP Q9UIQ6 1/20 0.47
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
EGFR P00533 1/20 0.47

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
SCHEMBL20887673 0.86 TDP1 (0.54) HPGDLMNAL3MBTL1ALDH1A1MGLL
SCHEMBL17844306 0.86 NPC1 (0.59) HPGDLMNARAB9AMAPTPDE4A
SCHEMBL8418846 0.86 L3MBTL1 (0.50) LMNAL3MBTL1PDE4APDE4BPDE4C
SCHEMBL1782909 0.86 HPGD (0.72) HPGDLMNAL3MBTL1CA1CA2
SCHEMBL29136473 0.85 LMNA (0.74) HPGDLMNAL3MBTL1CA1CA2
SCHEMBL14967232 0.83 L3MBTL1 (0.53) HPGDLMNAL3MBTL1ALDH1A1MGLL
SCHEMBL29136465 0.82 LMNA (0.61) HPGDLMNAL3MBTL1RAB9ANPC1
SCHEMBL12650499 0.80 CA12 (0.56) HPGDLMNAL3MBTL1CA1CA2
SCHEMBL8151382 0.80 SCN9A (0.48) HPGDLMNACA1CA2ALDH1A1
Isovanillic Acid Methyl Ester SCHEMBL1561379 0.79 P4HB (0.47) MAPTPDE4APDE4BPDE4CPDE4D

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-3233847-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex Suisse SA (CH) 2017-10-25 EP disclosed
WO-2016098005-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-06-23 WO disclosed