SCHEMBL13848441

SCHEMBL13848441

COc1cc(OC)c(C(C)C)cc1-c1ccccc1NS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.57
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.48
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NOD2 Q9HC29 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL13848365 0.90 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL13848367 0.87 MEN1 (0.65) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL13848448 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL13848266 0.82 L3MBTL1 (0.54) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL13848337 0.81 ALDH1A1 (0.57) STAT3ALDH1A1KMT2AMEN1LMNA
SCHEMBL4544247 0.80 HSD17B10 (0.47) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL7571620 0.78 POLB (0.68) STAT3ALDH1A1KMT2AMEN1POLB
SCHEMBL13848277 0.77 PARP14 (0.46) LMNAMAPTNOD2HPGD
SCHEMBL13848445 0.77 MRGPRX1 (0.43) L3MBTL1
SCHEMBL13848473 0.76 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 WO disclosed