SCHEMBL6187786

SCHEMBL6187786

C#CCC(C(=O)OC(C)C(=O)OCC)c1ccccc1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MMP8 P22894 2/20 0.35
CASP1 P29466 1/20 0.35
NLRP3 Q96P20 2/20 0.35
PIN1 Q13526 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 4/20 0.34
MAPK1 P28482 1/20 0.34
RORC P51449 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL13980101 0.78 ALDH1A1 (0.37) LMNAL3MBTL1TDP1MMP8ALDH1A1
SCHEMBL4809141 0.78 ALDH1A1 (0.37) LMNAL3MBTL1TDP1MMP8ALDH1A1
SCHEMBL4809892 0.78 ALDH1A1 (0.37) LMNAL3MBTL1TDP1MMP8ALDH1A1
SCHEMBL363983 0.72 TSHR (0.48) LMNATDP1MMP8CASP1NLRP3
SCHEMBL7509738 0.69 MMP8 (0.51) LMNATDP1MMP8CASP1NLRP3
SCHEMBL3822845 0.69 TDP1 (0.42) TDP1MMP8CASP1NLRP3PIN1
SCHEMBL16673419 0.68 ESR1 (0.38) LMNAL3MBTL1TDP1NLRP3KMT2A
SCHEMBL1190661 0.68 CASP1 (0.49) LMNAL3MBTL1TDP1MMP8CASP1
SCHEMBL1127868 0.67 MEN1 (0.59) LMNACASP1PIN1KMT2AMEN1
SCHEMBL27755853 0.67 TDP1 (0.45) TDP1MMP8CASP1NLRP3PIN1

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-1525190-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-27 EP disclosed
WO-2004007463-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-01-22 WO disclosed