SCHEMBL10129971

SCHEMBL10129971

CCC(C)(Oc1ccc(C2(c3ccc(Oc4cccc(C(C)(Cl)CP)c4C#N)cc3)CCCCC2)cc1)c1cccc(Cl)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.36
HSD11B1 P28845 1/20 0.33
TLR8 Q9NR97 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL10129305 1.00 ADORA3 (0.36) ADORA3HSD11B1TLR8MAPT
SCHEMBL10129669 0.83 ALOX5AP (0.33) HSD11B1
SCHEMBL14629708 0.77 HSD11B1 (0.36) HSD11B1TLR8MAPT
SCHEMBL10112886 0.76 TLR8 (0.49) HSD11B1TLR8MAPT
SCHEMBL10112950 0.76 TLR8 (0.49) HSD11B1TLR8MAPT
SCHEMBL13342162 0.74 HSD11B1 (0.37) HSD11B1TLR8MAPT
SCHEMBL14640016 0.74 MAPT (0.38) HSD11B1TLR8MAPT
SCHEMBL12872885 0.74 HSD11B1 (0.41) HSD11B1TLR8MAPT
SCHEMBL17750837 0.74 HSD11B1 (0.36) HSD11B1TLR8MAPT
SCHEMBL13298968 0.73 MAPT (0.38) HSD11B1TLR8MAPT

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-20120052412-A1 POLYARYLENE BLOCK COPOLYMER HAVING SULFONIC ACID GROUP AND USE THEREOF HONDA MOTOR CO., LTD. (JP) 2012-03-01 US disclosed