SCHEMBL27770216

SCHEMBL27770216

CC(OOCc1ccccc1)c1ccccc1.[KH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
MAPK1 P28482 2/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TACR1 P25103 2/20 0.40
IDO1 P14902 1/20 0.39
BCHE P06276 2/20 0.39
SIGMAR1 Q99720 2/20 0.38
AGXT P21549 1/20 0.38
FFAR1 O14842 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL10601685 0.98 TSHR (0.43) TSHRMAPK1MAPTTDP1L3MBTL1
SCHEMBL10481245 0.89 IDO1 (0.47) TSHRMAPK1MAPTTDP1L3MBTL1
SCHEMBL10603049 0.87 MAPT (0.41) TSHRMAPK1MAPTTDP1L3MBTL1
SCHEMBL11594052 0.79 TSHR (0.48) TSHRMAPK1MAPTTDP1L3MBTL1
SCHEMBL1289408 0.78 TAAR1 (0.40) FFAR1LMNATAAR1
SCHEMBL14289858 0.78 SLC6A2 (0.47) TSHRMAPK1MAPTTDP1L3MBTL1
SCHEMBL2701985 0.78 SLC6A2 (0.47) TSHRMAPK1MAPTTDP1L3MBTL1
SCHEMBL464725 0.76 HCAR2 (0.45) TSHRALDH1A1LMNATAAR1
SCHEMBL27704702 0.76 NPSR1 (0.39) TSHRFFAR1ALDH1A1LMNAHPGD
SCHEMBL27497058 0.74 TRPA1 (0.44) TSHRMAPK1MAPTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101638477-A Asymmetric polyether dihydric alcohol and preparation method thereof SHANDONG INST LIGHT INDUSTRY 2010-02-03 CN disclosed