Sugi Predict

Sugi Predict / Compounds / SCHEMBL6565526

SCHEMBL6565526

SCHEMBL6565526

CCOCC(CN)OCCCN

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 4/20 0.52
▸ CYP3A4 P08684 1/20 0.42
▸ TLR2 O60603 6/20 0.38
▸ HTT P42858 1/20 0.35
▸ LPAR1 Q92633 4/20 0.33
▸ LPAR3 Q9UBY5 4/20 0.33
▸ LPAR2 Q9HBW0 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL4144682 0.81 DNM1 (0.40) DNM1HTT
SCHEMBL16574874 0.80 CYP3A4 (0.50) DNM1CYP3A4TLR2HTTLPAR1
SCHEMBL22422699 0.78 CYP3A4 (0.38) DNM1CYP3A4TLR2LPAR1LPAR3
SCHEMBL6914579 0.78 CYP3A4 (0.56) DNM1CYP3A4TLR2HTTLPAR1
SCHEMBL17086768 0.78 CYP3A4 (0.56) DNM1CYP3A4TLR2HTTLPAR1
SCHEMBL991743 0.76 CYP3A4 (0.48) DNM1CYP3A4TLR2HTTLPAR1
SCHEMBL24470437 0.76 DNM1 (0.74) DNM1TLR2HTTLPAR1LPAR3
SCHEMBL7560937 0.76 DNM1 (0.74) DNM1TLR2HTTLPAR1LPAR3
SCHEMBL7559519 0.76 DNM1 (0.74) DNM1TLR2HTTLPAR1LPAR3
SCHEMBL22589994 0.76 DNM1 (0.74) DNM1TLR2HTTLPAR1LPAR3

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
EP-1403246-A1 Polyaspartate resins with improved flexibility Bayer Polymers LLC (US) 2004-03-31 — — EP claimed