SCHEMBL4433310

SCHEMBL4433310

CCCCOCCCCOC(N)CCCN

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
TLR2 O60603 6/20 0.41
DNM1 Q05193 3/20 0.40
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.37
LPAR1 Q92633 2/20 0.35
LPAR3 Q9UBY5 2/20 0.35
LPAR2 Q9HBW0 1/20 0.35
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7577706 0.84 TLR2 (0.41) CYP3A4TLR2DNM1HTTLPAR1
SCHEMBL7720705 0.83 DNM1 (0.50) TLR2DNM1TSHRMEN1KMT2A
SCHEMBL3492554 0.82 DNM1 (0.42) CYP3A4DNM1TSHRMEN1KMT2A
SCHEMBL11023381 0.81 HTT (0.41) CYP3A4TLR2DNM1HTTLPAR1
SCHEMBL6610050 0.80 DNM1 (0.50) TLR2DNM1TSHRHTTMEN1
SCHEMBL10521005 0.80 OPRM1 (0.48) CYP3A4DNM1HTTMAPT
SCHEMBL11654203 0.79 CYP3A4 (0.43) CYP3A4TLR2DNM1HTT
SCHEMBL10994150 0.79 DNM1 (0.53) TLR2DNM1TSHRHTTMEN1
SCHEMBL8052574 0.79 DNM1 (0.53) TLR2DNM1TSHRHTTMEN1
SCHEMBL19809920 0.79 DNM1 (0.53) TLR2DNM1TSHRHTTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029713-A1 LIQUID DETERGENT COMPOSITIONS WITH LOW POLYDISPERSITY POLYACRYLIC ACID BASED POLYMERS The Procter and Gamble Company (US) 2009-03-04 EP disclosed
WO-2007149806-A1 LIQUID DETERGENT COMPOSITIONS WITH LOW POLYDISPERSITY POLYACRYLIC ACID BASED POLYMERS THE PROCTER & GAMBLE COMPANY (US) 2007-12-27 WO disclosed