SCHEMBL2654897

SCHEMBL2654897

COC(=O)c1ccc(C=O)cc1.COC(=O)c1ccc(CNc2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 2/20 0.43
EPHX2 P34913 1/20 0.43
RAB9A P51151 2/20 0.42
CTSK P43235 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL2647011 0.92 CA1 (0.63) CA1CA2ALDH1A1MAPTSMN1; SMN2
SCHEMBL2654385 0.92 CA1 (0.63) CA1CA2ALDH1A1MAPTSMN1; SMN2
SCHEMBL16767423 0.82 RAB9A (0.61) CA1CA2ALDH1A1MAPTSMN1; SMN2
SCHEMBL7560695 0.79 CA1 (0.47) CA1CA2ALDH1A1MAPTSMN1; SMN2
SCHEMBL2647028 0.79 HAO1 (0.52) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL7560701 0.78 GCGR (0.48) CA1CA2ALDH1A1MAPTSMN1; SMN2
SCHEMBL1790000 0.78 ALDH1A1 (0.59) CA1CA2ALDH1A1MAPTSMN1; SMN2
SCHEMBL2949436 0.78 ALDH1A1 (0.59) CA1CA2ALDH1A1MAPTSMN1; SMN2
SCHEMBL2944396 0.78 ALDH1A1 (0.59) CA1CA2ALDH1A1MAPTSMN1; SMN2
SCHEMBL22453473 0.77 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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-1296942-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS Novo Nordisk A/S (DK) 2003-04-02 EP disclosed
WO-2002000612-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-01-03 WO disclosed