SCHEMBL16358797

SCHEMBL16358797

Cc1cc(N2C(=O)CC[C@@H]2CO)ccc1/C=C/[S@+]([O-])N1CCC2(CC1)N=C(c1ccc(F)c(C(F)(F)F)c1)NC2=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PTH1R Q03431 5/20 0.33
AR P10275 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
GRM2 Q14416 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
SCHEMBL847572 0.86 PTH1R (0.38) HDAC1HDAC8HDAC6PTH1R
SCHEMBL847571 0.86 PTH1R (0.38) HDAC1HDAC8HDAC6PTH1R
SCHEMBL847726 0.86 PTH1R (0.38) HDAC1HDAC8HDAC6PTH1R
SCHEMBL847573 0.86 PTH1R (0.38) HDAC1HDAC8HDAC6PTH1R
SCHEMBL847725 0.86 PTH1R (0.38) HDAC1HDAC8HDAC6PTH1R
SCHEMBL16358330 0.85 HDAC1 (0.39) HDAC1HDAC8HDAC6PTH1RAR
SCHEMBL847427 0.79 PTH1R (0.47) HDAC1HDAC8HDAC6PTH1R
SCHEMBL847428 0.79 PTH1R (0.47) HDAC1HDAC8HDAC6PTH1R
SCHEMBL847504 0.79 PTH1R (0.47) HDAC1HDAC8HDAC6PTH1R
SCHEMBL16358983 0.77 PTH1R (0.48) PTH1RAR

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
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 WO disclosed