SCHEMBL10112879

SCHEMBL10112879

CC1CC(C)(C)CC(c2ccc(Oc3cccc(Cl)c3C#N)cc2)(c2ccc(Oc3cccc(Cl)c3C#N)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
TLR8 Q9NR97 1/20 0.43
MAPT P10636 1/20 0.42
HSD11B1 P28845 1/20 0.41
EZH2 Q15910 8/20 0.39
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
AR P10275 2/20 0.32
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADRB2 P07550 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
CASR P41180 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
POLB P06746 1/20 0.30
GAA P10253 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
SCHEMBL9630764 0.82 POLB (0.50) ESR1ESR2EZH2ARSLC6A4
SCHEMBL10112950 0.77 TLR8 (0.49) ESR1ESR2TLR8MAPTHSD11B1
SCHEMBL10112886 0.77 TLR8 (0.49) ESR1ESR2TLR8MAPTHSD11B1
SCHEMBL10112898 0.76 TLR8 (0.46) ESR1TLR8MAPTHSD11B1EZH2
SCHEMBL8993553 0.76 ESR1 (0.52) ESR1ESR2MAPTKDM4ECYP2D6
SCHEMBL9846995 0.74 ESR1 (0.50) ESR1ESR2CYP2D6SLC6A2SLC6A4
SCHEMBL17042465 0.73 ESR1 (0.59) ESR1ESR2CYP2D6
SCHEMBL10112892 0.72 TLR8 (0.47) TLR8MAPTHSD11B1EZH2BCL2L1
SCHEMBL9846972 0.72 ESR1 (0.51) ESR1ESR2MAPTKDM4ESLC6A2
SCHEMBL25986540 0.72 ESR1 (0.60) ESR1ESR2KDM4EGAA

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