SCHEMBL1664310

SCHEMBL1664310

O=C(O)c1ccc2[nH]c(CCO)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.50
APEX1 P27695 2/20 0.44
SIRT1 Q96EB6 2/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
F2 P00734 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PRMT1 Q99873 1/20 0.41
MTNR1A P48039 3/20 0.41
MTNR1B P49286 2/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
THRB P10828 1/20 0.41
ENPP2 Q13822 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HSP90AA1 P07900 1/20 0.40
ESR2 Q92731 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR7 P34969 1/20 0.39
SMAD3 P84022 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
SCHEMBL20570792 0.87 HRH3 (0.52) HRH3APEX1SIRT1SIRT2F2
SCHEMBL30457877 0.87 HRH3 (0.52) HRH3APEX1SIRT1SIRT2F2
SCHEMBL6253984 0.86 HRH3 (0.56) HRH3APEX1SIRT1SIRT2F2
SCHEMBL13369810 0.83 HRH3 (0.47) HRH3APEX1SIRT1SIRT2F2
SCHEMBL6152137 0.83 HRH3 (0.53) HRH3APEX1MTNR1AMTNR1BKDM4E
SCHEMBL27732343 0.83 F2 (0.56) HRH3APEX1F2PRMT1MTNR1A
SCHEMBL6240732 0.82 KDM4E (0.51) HRH3APEX1SIRT1SIRT2F2
SCHEMBL2974997 0.82 HRH3 (0.51) HRH3APEX1SIRT1SIRT2F2
SCHEMBL6256459 0.82 HRH3 (0.58) HRH3APEX1SIRT1SIRT2F2
SCHEMBL6256442 0.82 GRIN2D (0.51) HRH3APEX1SIRT1SIRT2F2

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