SCHEMBL2662006

SCHEMBL2662006

COc1ccc(CC(NCc2ccc(C(C)C)cc2)c2ccc(C(=O)NCCC(=O)O)cc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
GAA P10253 1/20 0.49
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
NR1H4 Q96RI1 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
GCG P01275 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL2662252 0.85 ALDH1A1 (0.48) ALDH1A1GAAPOLBMAPTLMNA
SCHEMBL2662005 0.83 GAA (0.54) ALDH1A1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL3199273 0.74 POLB (0.80) SMN1; SMN2RAB9ANPC1GAAPOLB
SCHEMBL4091220 0.72 GCGR (0.44) MAPTGCGMEN1KMT2A
SCHEMBL2663140 0.71 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2GAAPOLBTDP1
SCHEMBL2665712 0.70 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1GCGCA1
SCHEMBL2662250 0.70 NAMPT (0.48) ALDH1A1SMN1; SMN2GAAPOLBMAPT
SCHEMBL3187109 0.69 KDM4E (0.64) ALDH1A1SMN1; SMN2GAAPOLBTDP1
SCHEMBL4886486 0.68 KMT2A (0.60) ALDH1A1SMN1; SMN2POLBMAPTLMNA
SCHEMBL4886493 0.68 KMT2A (0.60) ALDH1A1SMN1; SMN2POLBMAPTLMNA

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-1183229-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-03-06 EP disclosed
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 WO disclosed