SCHEMBL5198522

SCHEMBL5198522

CCCCOC(=O)NC(CC(=O)O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 1/20 0.42
FAAH O00519 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.40
SLC29A1 Q99808 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39

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
SCHEMBL5499794 0.87 POLB (0.57) POLBLMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL2320404 0.81 FAAH (0.59) LMNAL3MBTL1ALDH1A1NPSR1MAPK1
SCHEMBL5199852 0.81 L3MBTL1 (0.40) POLBLMNAL3MBTL1ALDH1A1TSHR
SCHEMBL5502790 0.80 SMN1; SMN2 (0.47) LMNAL3MBTL1TSHRFAAHSMN1; SMN2
SCHEMBL844472 0.80 SMN1; SMN2 (0.57) POLBLMNAL3MBTL1ALDH1A1TSHR
SCHEMBL14040614 0.80 SMN1; SMN2 (0.57) POLBLMNAL3MBTL1ALDH1A1TSHR
SCHEMBL5088792 0.80 CTSA (0.51) POLBALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL5085765 0.78 SMN1; SMN2 (0.50) POLBLMNAL3MBTL1MAPK1FAAH
SCHEMBL5504022 0.77 SMN1; SMN2 (0.42) POLBLMNAL3MBTL1ALDH1A1TSHR
SCHEMBL3663293 0.77 FAAH (0.58) LMNAL3MBTL1NPSR1MAPK1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1576179-A4 METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS IN CANCER CELLS IRM LLC (BM) 2007-06-06 EP disclosed
EP-1576179-A2 METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS IN CANCER CELLS IRM LLC (BM) 2005-09-21 EP disclosed
WO-2004050895-A2 METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS IN CANCER CELLS IRM LLC (BM) 2004-06-17 WO disclosed