Sugi Predict

Sugi Predict / Compounds / SCHEMBL16348644

SCHEMBL16348644

SCHEMBL16348644

NCCC(CCCCCCCO)NCCCCCCCCO

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.40
▸ RRM1 P23921 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ GNAI3 P08754 1/20 0.30
▸ GNAO1 P09471 1/20 0.30
▸ GNAI1 P63096 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
Fluoride SCHEMBL5133359 0.82 CNR1 (0.31) CNR1
SCHEMBL20362314 0.81 CA12 (0.38) CA12CA1CA2CA9
SCHEMBL31090421 0.80 RRM1 (0.46) RRM1GNAI3GNAO1GNAI1
SCHEMBL687756 0.79 CNR1 (0.39) CNR1CA12CA1CA2CA9
SCHEMBL8699215 0.79 CA12 (0.40) CA12CA1CA2CA9
Fluoride SCHEMBL9760387 0.78 RRM1 (0.45) RRM1GNAI3GNAO1GNAI1
SCHEMBL11184192 0.76 CA12 (0.38) CA12CA1CA2CA9
SCHEMBL11676938 0.76 GNAI3 (0.40) CNR1CA12CA1CA2CA9
SCHEMBL28710367 0.76 GNAI3 (0.40) CNR1CA12CA1CA2CA9
SCHEMBL9948939 0.75 SMN1; SMN2 (0.46) CNR1

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-8932721-B2 Laminates joined by polyurethane hot-melt adhesive and process for bonding plasticizer-containing plastics SIKA TECHNOLOGY AG (CH) 2015-01-13 — — US disclosed