SCHEMBL1864173

SCHEMBL1864173

CC[C@@]1(COCc2ccccc2)OC2(C=C(C(=O)O)C(S(=O)(=O)Nc3ccc(F)cc3Cl)CC2)O[C@H]1COCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.43
GRM5 P41594 1/20 0.31
MRGPRX1 Q96LB2 1/20 0.31
NAMPT P43490 1/20 0.31

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
SCHEMBL1862043 0.88 TLR4 (0.48) TLR4MRGPRX1
SCHEMBL1863031 0.87 TLR4 (0.46) TLR4MRGPRX1
SCHEMBL1864588 0.87 TLR4 (0.46) TLR4MRGPRX1
SCHEMBL1862994 0.86 TLR4 (0.47) TLR4MRGPRX1
SCHEMBL4147590 0.85 TLR4 (0.46) TLR4GRM5MRGPRX1NAMPT
SCHEMBL1866347 0.83 TLR4 (0.47) TLR4MRGPRX1
SCHEMBL1862851 0.83 TLR4 (0.47) TLR4MRGPRX1
SCHEMBL15093794 0.83 TLR4 (0.47) TLR4MRGPRX1
SCHEMBL1869909 0.80 TLR4 (0.44) TLR4MRGPRX1
SCHEMBL1864172 0.80 TLR4 (0.57) TLR4GRM5MRGPRX1NAMPT

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