SCHEMBL2729182

SCHEMBL2729182

O=[C]c1ccc2ccccc2c1C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.47
KMT2A Q03164 3/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ALDH1A1 P00352 6/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.43
EGLN1 Q9GZT9 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
NPC1 O15118 3/20 0.41
ATM Q13315 1/20 0.41
MAPK1 P28482 2/20 0.41
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP12 P39900 2/20 0.40
HPGD P15428 1/20 0.40
MMP1 P03956 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL10523112 0.83 CDC25B (0.50) TDP1KMT2AALDH1A1LMNATSHR
SCHEMBL7392898 0.81 TDP1 (0.54) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL28396741 0.81 ALDH1A1 (0.55) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL7631721 0.80 ALDH1A1 (0.58) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL16131300 0.79 KMT2A (0.56) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL4051783 0.77 PLAU (0.49) ALDH1A1LMNATSHRNPC1RAB9A
SCHEMBL7631724 0.77 ALDH1A1 (0.58) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL4899928 0.77 HSD17B10 (0.55) TDP1KMT2AALDH1A1LMNATSHR
SCHEMBL9098921 0.77 TDP1 (0.54) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL8715814 0.76 LMNA (0.44) TDP1KMT2ASLC6A2SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012058378-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES L.C. (US) 2012-05-03 WO disclosed
EP-1732891-A4 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS INC (US) 2009-05-06 EP disclosed
WO-2005087728-A9 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS INC (US) 2007-04-26 WO disclosed
EP-1732891-A1 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2006-12-20 EP disclosed
WO-2005087728-A1 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
EP-1177173-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS G.D. SEARLE & CO. (US) 2002-02-06 EP disclosed
WO-2000069819-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS G.D. SEARLE & CO. (US) 2000-11-23 WO disclosed
EP-0804428-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed