SCHEMBL1869232

SCHEMBL1869232

CC[C@]1(CO)OC2(C=C(C(=O)O)C(S(=O)(=O)Nc3ccc(C)cc3Cl)CC2)O[C@@H]1CO

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.38
THRB P10828 1/20 0.30
METAP2 P50579 1/20 0.30
MAPT P10636 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL1869582 0.93 TLR4 (0.37) TLR4
SCHEMBL15093794 0.91 TLR4 (0.47) TLR4METAP2
SCHEMBL1862851 0.91 TLR4 (0.47) TLR4METAP2
SCHEMBL1866347 0.91 TLR4 (0.47) TLR4METAP2
SCHEMBL1862291 0.90 TLR4 (0.33) TLR4
SCHEMBL1862791 0.87 TLR4 (0.35) TLR4
SCHEMBL1868647 0.86 TLR4 (0.38) TLR4METAP2
SCHEMBL1863516 0.85 TLR4 (0.37) TLR4
SCHEMBL1865198 0.85 TLR4 (0.37) TLR4
SCHEMBL1869861 0.84 MAPT (0.31) MAPT

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-7935835-B2 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-03 US disclosed