SCHEMBL28262102

SCHEMBL28262102

CCCCCCCCCCCCCCCCCCC(c1ccccc1)[N+](C)(CCO)CCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 2/20 0.42
PLA2G1B P04054 2/20 0.42
MMP2 P08253 2/20 0.42
ATG4B Q9Y4P1 2/20 0.42
HSP90AA1 P07900 1/20 0.42
RAD52 P43351 1/20 0.42
DNM1 Q05193 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CSNK1E P49674 1/20 0.39
HTT P42858 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRL1 P41146 1/20 0.39
NAAA Q02083 2/20 0.38
CNR2 P34972 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
SCHEMBL28262100 0.91 DNM1 (0.42) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL8871538 0.88 PSMD14 (0.42) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
Hydrochloric Acid SCHEMBL8900600 0.88 MEN1 (0.49) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL11121025 0.86 CSNK1E (0.40) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
Hydrochloric Acid SCHEMBL4348881 0.85 PSMD14 (0.42) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
Hydrochloric Acid SCHEMBL9576963 0.81 NAAA (0.43) MEN1KMT2ATP53MAPK1SMN1; SMN2
SCHEMBL27746214 0.81 DNM1 (0.41) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL7101036 0.80 DNM1 (0.43) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL5606114 0.80 DNM1 (0.43) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL10810473 0.80 DNM1 (0.43) DNM1MEN1KMT2ATP53MAPK1

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
CN-109071956-A Composition for thermoplastic elastomer and its manufacturing method and elastomer molded body JXTG能源株式会社 2018-12-21 CN disclosed