SCHEMBL1663278

SCHEMBL1663278

CN(C)c1cccc(NC(=O)CCCc2cc3cc(C(=O)O)ccc3[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
ALOX15 P16050 2/20 0.53
GAA P10253 1/20 0.53
APP P05067 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MCL1 Q07820 1/20 0.43
HTT P42858 1/20 0.42
POLB P06746 1/20 0.41
TERT O14746 2/20 0.41
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40
MMP13 P45452 2/20 0.40

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
SCHEMBL1663077 0.89 ALDH1A1 (0.54) ALDH1A1ALOX15GAAAPPSMN1; SMN2
SCHEMBL1663735 0.76 HRH3 (0.44) ALDH1A1POLB
SCHEMBL1663274 0.74 ALDH1A1 (0.50) ALDH1A1ALOX15GAASMN1; SMN2NPC1
SCHEMBL1663128 0.74 MTNR1A (0.56) ALDH1A1ALOX15GAAMAPK1MAPT
SCHEMBL1663062 0.73 MTNR1A (0.44) ALDH1A1
SCHEMBL1663712 0.72 MTNR1A (0.48) ALDH1A1SMN1; SMN2MAPTHDAC6LMNA
SCHEMBL6152137 0.72 HRH3 (0.53) ALDH1A1GAA
SCHEMBL1663190 0.72 MTNR1A (0.40) APPSMN1; SMN2
SCHEMBL13369823 0.71 MTNR1A (0.51) ALDH1A1SMN1; SMN2
SCHEMBL3769612 0.71 ALDH1A1 (0.72) ALDH1A1ALOX15GAASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed