SCHEMBL8063733

SCHEMBL8063733

CCCCOC(=O)N=C(NN(C(N)=O)C(=O)OCc1ccccc1)SC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 1/20 0.44
CCR6 P51684 1/20 0.34
PAX8 Q06710 1/20 0.34
C5AR1 P21730 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
MAPT P10636 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
MCL1 Q07820 1/20 0.34
TP53 P04637 1/20 0.34
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33

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
SCHEMBL8063731 1.00 ALDH1A1 (0.44) ALDH1A1L3MBTL1TSHRMAPK1TDP1
SCHEMBL8063402 0.91 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPK1TDP1CCR6
SCHEMBL8063405 0.91 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPK1TDP1CCR6
SCHEMBL8065760 0.84 AKT1 (0.38) ALDH1A1L3MBTL1CCR6PAX8MAPT
SCHEMBL8065764 0.84 AKT1 (0.38) ALDH1A1L3MBTL1CCR6PAX8MAPT
SCHEMBL8063735 0.76 L3MBTL1 (0.46) ALDH1A1L3MBTL1TSHRMAPK1TDP1
SCHEMBL8068382 0.75 ALDH1A1 (0.42) ALDH1A1L3MBTL1TSHRMAPK1TDP1
SCHEMBL8058467 0.73 ALDH1A1 (0.49) ALDH1A1L3MBTL1TSHRMAPK1TDP1
SCHEMBL8047952 0.72 KDM4E (0.48) ALDH1A1L3MBTL1TSHRMAPK1TDP1
SCHEMBL8047957 0.72 KDM4E (0.48) ALDH1A1L3MBTL1TSHRMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6162925-A Antibiotic for methicillin resistant bacteria RESEARCH CORPORATION TECH., INC. (US) 2000-12-19 US disclosed
US-6110925-A EFFECTIVE AGAINST STAPHYLOCOCCUS; ANTITUMOR AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2000-08-29 US disclosed
EP-1003727-A1 ANTIBIOTIC FOR METHICILLIN RESISTANT BACTERIA RESEARCH CORPORATION TECHNOLOGIES (US) 2000-05-31 EP disclosed
WO-1999007685-A1 ANTIBIOTIC FOR METHICILLIN RESISTANT BACTERIA RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1999-02-18 WO disclosed