SCHEMBL22806344

SCHEMBL22806344

CCCCCCCN([O])CCCC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.52
TSHR P16473 2/20 0.47
THRB P10828 1/20 0.47
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH4 P08319 1/20 0.40
GBA1 P04062 1/20 0.38
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
GGPS1 O95749 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL4453840 0.97 DNM1 (0.55) DNM1TSHRTHRBCA12CA1
SCHEMBL811342 0.97 DNM1 (0.55) DNM1TSHRTHRBCA12CA1
SCHEMBL1239128 0.94 DNM1 (0.50) DNM1TSHRTHRBCA12CA1
SCHEMBL22806345 0.92 DNM1 (0.50) DNM1TSHRTHRBCA12CA1
SCHEMBL8001833 0.91 CA1 (0.42) DNM1TSHRTHRBCA12CA1
SCHEMBL22806261 0.86 DNM1 (0.50) DNM1TSHRTHRBCA12CA1
SCHEMBL8131734 0.79
SCHEMBL28701706 0.79 DNM1 (0.63) DNM1TSHRTHRBCA12CA1
SCHEMBL24028136 0.75 DNM1 (0.58) DNM1TSHRTHRBCA12CA1
SCHEMBL21409651 0.75 DNM1 (0.58) DNM1TSHRTHRBCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114026155-B Oil-in-water type organosilicon emulsion composition and use thereof 陶氏东丽株式会社 2024-02-27 CN disclosed
CN-114096627-B Aqueous coating film-forming composition for forming antifriction coating film and airbag using the same 陶氏东丽株式会社 2023-09-22 CN disclosed
WO-2020255895-A1 OIL-IN-WATER SILICONE EMULSION COMPOSITION AND USE THEREOF ダウ・東レ株式会社 2020-12-24 WO disclosed
WO-2020255894-A1 AQUEOUS COATING-FILM-FORMING COMPOSITION FOR FORMING LUBRICATING COATING FILM, AND AIR BAG USING SAID COMPOSITION ダウ・東レ株式会社 2020-12-24 WO disclosed