SCHEMBL2910214

SCHEMBL2910214

CCCCOC(=O)NC(CCCSCc1ccc(OC)cc1)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.41
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
ACE P12821 2/20 0.40
LMNA P02545 1/20 0.39
CTSK P43235 1/20 0.39
CACNA1B Q00975 1/20 0.38
FAAH O00519 1/20 0.38
PPID Q08752 1/20 0.38
MAPT P10636 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
SCHEMBL2909471 0.81 PPARA (0.53) TAS1R3TAS1R1PPARGPPARAGAA
SCHEMBL2910065 0.81 PPARA (0.64) PPARGPPARAACE
SCHEMBL2910217 0.74 TBXAS1 (0.42) TAS1R3TAS1R1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL8485515 0.74 FPR2 (0.54) KMT2A
SCHEMBL2320402 0.74 FPR2 (0.54) KMT2A
SCHEMBL425010 0.72 LMNA (0.48) SMN1; SMN2ALDH1A1PKMLMNAMAPT
SCHEMBL16334693 0.72 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1PKMGAAGLA
SCHEMBL2910068 0.72 CYP2C19 (0.47) SMN1; SMN2ALDH1A1PPARGPPARAMAPK1
SCHEMBL2909473 0.72 FAAH (0.41) SMN1; SMN2ALDH1A1MAPK1GAAGLA
SCHEMBL10920272 0.71 CPB2 (0.46) SMN1; SMN2MAPK1KMT2A

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