SCHEMBL17891992

SCHEMBL17891992

CC1CN1.CC1CN1.CC1CN1.CCC(=O)OCC(CC)(CO)CO

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
NAAA Q02083 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
SCHEMBL181027 0.92 THRB (0.33) ALDH1A1HIF1ANAAA
SCHEMBL1003214 0.86 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL259571 0.78 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL17083541 0.78 ALDH1A1 (0.48) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL8342617 0.78 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL5461086 0.77 ALDH1A1 (0.30) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Hydrogen Sulfide SCHEMBL21904608 0.77 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL9001040 0.76 NAAA (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL28867093 0.76 GBA1 (0.31) ALDH1A1
SCHEMBL9405299 0.75 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240847-B1 WATER-BASED PRESSURE-SENSITIVE ADHESIVE COMPOSITIONS 3M INNOVATIVE PROPERTIES CO (US) 2020-04-29 EP disclosed
US-9890301-B2 Water-based pressure-sensitive adhesive compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-02-13 US disclosed
US-20170362467-A1 WATER-BASED PRESSURE-SENSITIVE ADHESIVE COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY 2017-12-21 US disclosed
EP-3240852-A1 WATER-BASED PRESSURE-SENSITIVE ADHESIVE COMPOSITIONS 3M Innovative Properties Company (US) 2017-11-08 EP disclosed
EP-3240847-A1 WATER-BASED PRESSURE-SENSITIVE ADHESIVE COMPOSITIONS 3M Innovative Properties Company (US) 2017-11-08 EP disclosed
WO-2016109173-A1 WATER-BASED PRESSURE-SENSITIVE ADHESIVE COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-07-07 WO disclosed
WO-2016109176-A1 WATER-BASED PRESSURE-SENSITIVE ADHESIVE COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-07-07 WO disclosed