SCHEMBL28042568

SCHEMBL28042568

CCCCCCCCOc1ccccc1OC(N)=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.68
CYP3A4 P08684 2/20 0.68
MEN1 O00255 1/20 0.68
NR1I2 O75469 1/20 0.68
CHRM2 P08172 1/20 0.68
ADRA2A P08913 1/20 0.68
MAPT P10636 1/20 0.68
OPRK1 P41145 1/20 0.68
HTR2B P41595 1/20 0.68
SLC6A3 Q01959 1/20 0.68
KMT2A Q03164 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
PLA2G4B P0C869 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CYSLTR2 Q9NS75 2/20 0.48

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
SCHEMBL1963883 0.85 LMNA (0.60) LMNACYP3A4MEN1NR1I2CHRM2
SCHEMBL10803248 0.85 LMNA (0.60) LMNACYP3A4MEN1NR1I2CHRM2
SCHEMBL5613698 0.85 LMNA (0.60) LMNACYP3A4MEN1NR1I2CHRM2
SCHEMBL6737922 0.85 LMNA (0.60) LMNACYP3A4MEN1NR1I2CHRM2
SCHEMBL898711 0.85 LMNA (0.59) LMNACYP3A4MEN1NR1I2CHRM2
SCHEMBL5007919 0.84 LMNA (0.59) LMNACYP3A4MEN1NR1I2CHRM2
SCHEMBL8081134 0.84 LMNA (0.59) LMNACYP3A4MEN1NR1I2CHRM2
SCHEMBL8084776 0.84 LMNA (0.59) LMNACYP3A4MEN1NR1I2CHRM2
SCHEMBL18554198 0.83 PTGS2 (0.59) LMNACYP3A4MEN1NR1I2CHRM2
SCHEMBL898712 0.83 LMNA (0.58) LMNACYP3A4MEN1NR1I2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105131132-B Synthetic method with long alkyloxy side chain cellulose derivative 哈尔滨工程大学 2017-11-21 CN disclosed
CN-105131132-A Synthetic method of cellulose derivatives having long alkoxyl side chain UNIV HARBIN ENG 2015-12-09 CN disclosed