SCHEMBL8058308

SCHEMBL8058308

CCCCOC(=O)/N=C(/NS(C)(=O)=O)SC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
ATM Q13315 1/20 0.35
HPGD P15428 4/20 0.33
TSHR P16473 2/20 0.33
EPHX1 P07099 1/20 0.33
RECQL P46063 1/20 0.32
ACHE P22303 6/20 0.32
HCAR2 Q8TDS4 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 5/20 0.31
NPC1 O15118 4/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
CASP1 P29466 1/20 0.31
STS P08842 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
MCL1 Q07820 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL8058311 1.00 ALDH1A1 (0.41) ALDH1A1ATMHPGDTSHREPHX1
SCHEMBL8575692 0.79 ALDH1A1 (0.43) ALDH1A1ATMHPGDEPHX1ACHE
SCHEMBL8575690 0.79 ALDH1A1 (0.43) ALDH1A1ATMHPGDEPHX1ACHE
SCHEMBL8058305 0.79 ALDH1A1 (0.47) ALDH1A1ATMHPGDTSHREPHX1
SCHEMBL8058307 0.79 ALDH1A1 (0.47) ALDH1A1ATMHPGDTSHREPHX1
SCHEMBL11631150 0.75 EPHX1 (0.47) ALDH1A1EPHX1ACHE
SCHEMBL11631146 0.75 EPHX1 (0.47) ALDH1A1EPHX1ACHE
SCHEMBL15084802 0.74
SCHEMBL11451201 0.74 ALDH1A1 (0.47) ALDH1A1ATMHPGDTSHREPHX1
SCHEMBL11626000 0.73 EPHX1 (0.50) TSHREPHX1ACHE

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