SCHEMBL2156183

SCHEMBL2156183

O=C(O)c1ccccc1C(c1ccccc1C(=O)O)C1(C(c2ccccc2C(=O)O)c2ccccc2C(=O)O)CSc2ccccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 6/20 0.37
LMNA P02545 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ACHE P22303 4/20 0.36
GAA P10253 2/20 0.35
KMT2A Q03164 1/20 0.35
NOTUM Q6P988 1/20 0.34
HPGD P15428 3/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
LIG1 P18858 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL2155684 0.71 ACHE (0.40) MAPTTDP1ALDH1A1LMNAL3MBTL1
SCHEMBL2156050 0.69 MAPT (0.38) MAPTTDP1ALDH1A1LMNAACHE
SCHEMBL23181246 0.64 MAPT (0.48) MAPTTDP1ALDH1A1LMNAACHE
SCHEMBL8787780 0.64 MAPT (0.48) MAPTTDP1ALDH1A1LMNAACHE
SCHEMBL2155997 0.63 MAPT (0.44) MAPTTDP1ALDH1A1LMNAACHE
SCHEMBL10381710 0.63 LMNA (0.44) MAPTTDP1ALDH1A1LMNAACHE
SCHEMBL18176287 0.62 ALDH1A1 (0.56) MAPTTDP1ALDH1A1LMNAL3MBTL1
SCHEMBL2601428 0.62 ALDH1A1 (0.49) MAPTTDP1ALDH1A1LMNAL3MBTL1
SCHEMBL900830 0.62 ALDH1A1 (0.68) MAPTTDP1ALDH1A1LMNAL3MBTL1
SCHEMBL11602789 0.62 ALDH1A1 (0.62) MAPTTDP1ALDH1A1LMNAL3MBTL1

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
US-7973072-B2 Pain, eating disorders, neurodegenerative disorders, memory impairment; attention deficit syndrome, opioid tolerance, drug addiction; (4-oxothiochroman-3,3-diyl)bis(methylene)bis(3-(trifluoromethyl)benzoate for example GRUENENTHAL GMBH (DE) 2011-07-05 US claimed