SCHEMBL16601936

SCHEMBL16601936

CCN(CCCCO)CCC(=O)OCCCCOC(=O)CCNc1ccc(SSc2ccc(C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
GSTP1 P09211 1/20 0.33
GSTM2 P28161 1/20 0.33
RET P07949 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 2/20 0.33
POLB P06746 2/20 0.33
RAB9A P51151 2/20 0.33
ACHE P22303 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAOA P21397 1/20 0.33
CNR1 P21554 1/20 0.33
DRD4 P21917 1/20 0.33
HRH2 P25021 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
NTSR1 P30989 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL16601931 0.99 GSTP1 (0.34) TDP1GSTP1GSTM2RETHRH3
SCHEMBL17069545 0.84 LMNA (0.35) LMNARAB9ACYP1A2DRD3SCN1A
SCHEMBL16140052 0.84 LMNA (0.41) HRH3LMNAMAPK1RAB9AACHE
SCHEMBL8739105 0.84 LMNA (0.41) HRH3LMNAMAPK1RAB9AACHE
SCHEMBL16601930 0.73 RAB9A (0.39) TDP1HRH3LMNAMAPK1POLB
SCHEMBL16601932 0.70 ACHE (0.35) GSTP1GSTM2RETACHEHTR2C
SCHEMBL9829525 0.69 MAPT (0.53) TDP1LMNAPOLBRAB9A
SCHEMBL16601934 0.69 ACHE (0.37) GSTP1GSTM2ACHEHTR2CLTA4H
SCHEMBL16601928 0.69 ACHE (0.37) GSTP1GSTM2ACHEHTR2CLTA4H
SCHEMBL8738077 0.68 PPIB (0.45) TDP1LMNAPOLBRAB9ACYP1A2

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-8992991-B2 Multicomponent degradable cationic polymers THE JOHNS HOPKINS UNIVERSITY (US) 2015-03-31 US disclosed