SCHEMBL11228005

SCHEMBL11228005

CCC(=S)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.54
ALDH1A1 P00352 4/20 0.54
FAAH O00519 4/20 0.54
PDK1 Q15118 2/20 0.54
PDK2 Q15119 2/20 0.54
PDK3 Q15120 2/20 0.54
PHGDH O43175 1/20 0.54
ALDH2 P05091 1/20 0.54
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL4602642 0.77
SCHEMBL9871000 0.77 HTT (0.49) MGLLALDH1A1FAAHPDK1PDK2
SCHEMBL10288150 0.76 MGLL (0.60) MGLLALDH1A1FAAHPDK1PDK2
SCHEMBL12871099 0.76 MGLL (0.53) MGLLALDH1A1FAAHPDK1PDK2
SCHEMBL12702680 0.76 ALDH1A1 (0.49) MGLLALDH1A1FAAHPDK1PDK2
SCHEMBL4288265 0.76 ALDH1A1 (0.49) MGLLALDH1A1FAAHPDK1PDK2
SCHEMBL1535830 0.75 ALDH1A1 (0.50) MGLLALDH1A1PHGDHALDH2CA12
SCHEMBL9529001 0.75 ALDH1A1 (0.50) MGLLALDH1A1PHGDHALDH2CA12
SCHEMBL17393577 0.75 HTT (0.48) MGLLALDH1A1FAAHPDK1PDK2
SCHEMBL18397667 0.74 SMN1; SMN2 (0.52) MGLLALDH1A1FAAHPDK1PDK2

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
WO-2018105845-A1 MODIFIER AND MODIFIED CONJUGATED DIENE BASED POLYMER, AND PREPARATION METHODS THEREFOR 주식회사 엘지화학 2018-06-14 WO disclosed
US-7262309-B2 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof GLAXOSMITH KLINE ISTRAZIVOCKI CENTAR ZAGREB, D.O.O. (HR) 2007-08-28 US disclosed
US-7262309-B2 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof GLAXOSMITH KLINE ISTRAZIVOCKI CENTAR ZAGREB, D.O.O. (HR) 2007-08-28 US disclosed
US-4313949-A Method of producing an inhibitory effect on blood platelet aggregation A. H. ROBINS COMPANY, INC. (US) 1982-02-02 US disclosed