SCHEMBL2051244

SCHEMBL2051244

COC(C)NCc1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
SLC6A2 P23975 4/20 0.42
TAAR1 Q96RJ0 3/20 0.42
IDO1 P14902 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 2/20 0.42
MAPK1 P28482 2/20 0.42
CASP1 P29466 2/20 0.42
BLM P54132 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL9781281 0.84 SLC6A2 (0.48) SLC6A2TAAR1MEN1ALDH1A1POLB
SCHEMBL19853394 0.80 SIGMAR1 (0.57) IDO1MEN1POLBGAAMAPT
SCHEMBL3804170 0.78 ADRB2 (0.51) SLC6A2TAAR1MEN1ALDH1A1POLB
SCHEMBL10775519 0.74 MEN1 (0.51) SLC6A2MEN1POLBGAAMAPT
SCHEMBL13995814 0.73 ALDH1A1 (0.62) SLC6A2TAAR1MEN1ALDH1A1POLB
SCHEMBL1516416 0.73 TAAR1 (0.47) SLC6A2TAAR1IDO1MEN1ALDH1A1
SCHEMBL172595 0.73 ALDH1A1 (0.62) SLC6A2TAAR1MEN1ALDH1A1POLB
SCHEMBL6817309 0.73 POLB (0.40) CA1CA2POLBHSD17B10HSP90AA1
SCHEMBL7181502 0.73 CASR (0.62) MEN1ALDH1A1POLBKMT2AADRB2
SCHEMBL22928989 0.72 SLC2A1 (0.42) IDO1ALDH1A1L3MBTL1CYP2D6SIGMAR1

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-2512462-A1 MULTIFUNCTIONAL ZWITTERIONIC POLYMER CONJUGATES Oligasis (US) 2012-10-24 EP disclosed
WO-2011075736-A1 MULTIFUNCTIONAL ZWITTERIONIC POLYMER CONJUGATES OLIGASIS (US) 2011-06-23 WO disclosed
WO-2008063572-A2 METHOD FOR STORING HYDROGEN USING NOVEL CARBON-BASED HIGH CAPACITY STORAGE MATERIALS ALGODIGN, LLC (US) 2008-05-29 WO disclosed