SCHEMBL2910217

SCHEMBL2910217

CCCCOC(=O)NC(CCCC(=O)OCC)SCc1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
LTA4H P09960 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
CTSK P43235 1/20 0.38
GAA P10253 2/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
FAAH O00519 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL2909473 0.84 FAAH (0.41) MAPK1SMN1; SMN2GLAKMT2ACTSK
SCHEMBL2910068 0.82 CYP2C19 (0.47) MAPK1SMN1; SMN2CTSKGAAKDM4E
SCHEMBL7604900 0.78 EPHX1 (0.45) TBXAS1SMN1; SMN2GLAKMT2ALTA4H
SCHEMBL2910214 0.74 TAS1R3 (0.43) MAPK1SMN1; SMN2GLAKMT2ATAS1R3
SCHEMBL2909471 0.72 PPARA (0.53) TAS1R3TAS1R1CTSKGAAFAAH
SCHEMBL16334693 0.71 ALDH1A1 (0.53) SMN1; SMN2GLAKMT2AGAAALOX15
SCHEMBL2910065 0.71 PPARA (0.64)
SCHEMBL7999711 0.71 ALOX5 (0.59) GLAKMT2AMAPT
SCHEMBL3675681 0.70 ALOX5 (0.57) GLAKMT2AMAPT
SCHEMBL10641602 0.69 GLA (0.45) GLAKMT2AGAA

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