SCHEMBL2909473

SCHEMBL2909473

CCCCOC(=O)NC(CC(=O)OC)SCc1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
EPHX1 P07099 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSK P43235 1/20 0.39
GAA P10253 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
GLA P06280 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
CNR1 P21554 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38

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
SCHEMBL2910068 0.91 CYP2C19 (0.47) FAAHEPHX1CYP2C19MAPK1SMN1; SMN2
SCHEMBL2910217 0.84 TBXAS1 (0.42) FAAHMAPK1SMN1; SMN2CTSKGAA
SCHEMBL2909471 0.76 PPARA (0.53) FAAHCTSKGAA
SCHEMBL2910065 0.75 PPARA (0.64)
SCHEMBL6656147 0.74 FAAH (0.41) FAAHCYP2C19MAPK1SMN1; SMN2CTSK
SCHEMBL8485515 0.72 FPR2 (0.54) KMT2A
SCHEMBL2320402 0.72 FPR2 (0.54) KMT2A
SCHEMBL2910214 0.72 TAS1R3 (0.43) FAAHMAPK1SMN1; SMN2CTSKGAA
SCHEMBL10641602 0.71 GLA (0.45) GAAGLAKMT2A
SCHEMBL16696334 0.71 FAAH (0.56) FAAHGAAALDH1A1HPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220081-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG Life Sciences Ltd. (KR) 2010-08-25 EP disclosed
WO-2009082152-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2009-07-02 WO disclosed