SCHEMBL28059258

SCHEMBL28059258

CCCOC(=O)C(=CC1CCCC1)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
RAB9A P51151 2/20 0.32
NAAA Q02083 1/20 0.32
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL8714650 0.86 ALDH1A1 (0.42) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL29117606 0.85 ALDH1A1 (0.38) ALDH1A1PPM1BPTPN1PPP1CCHCAR2
SCHEMBL20878786 0.85 ALDH1A1 (0.45) ALDH1A1RAB9ANAAAHPGDSMN1; SMN2
SCHEMBL29108764 0.85 ALDH1A1 (0.45) ALDH1A1RAB9ANAAAHPGDSMN1; SMN2
SCHEMBL4354987 0.85 TSHR (0.33) GRIK1GRIK2
SCHEMBL9436874 0.83 GRIK1 (0.33) ALDH1A1GRIK1GRIK2
SCHEMBL15913578 0.83 HCAR2 (0.35) ALDH1A1PPM1BPTPN1PPP1CCHCAR2
SCHEMBL28473155 0.81 HCAR2 (0.34) ALDH1A1PPM1BPTPN1PPP1CCHCAR2
SCHEMBL15913355 0.81 HCAR2 (0.34) ALDH1A1PPM1BPTPN1PPP1CCHCAR2
SCHEMBL20601871 0.80 GRIK1 (0.37) ALDH1A1PPM1BPTPN1PPP1CCHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108884377-A Photocurable sealing agent composition, article, and organic solar cell 日本瑞翁株式会社 2018-11-23 CN disclosed
CN-104169317-B Polymerizable composition, polymerizable composition, polymer, image display device and manufacture method thereof 昭和电工株式会社 2016-11-23 CN disclosed
CN-104011100-B Polymerizable composition, polymkeric substance, image display device and manufacture method thereof SHOWA DENKO KABUSHIKI KAISHA (JP) 2016-04-13 CN disclosed