SCHEMBL30850134

SCHEMBL30850134

CC(CCO)NCCNC(C)CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
KDM4E B2RXH2 3/20 0.36
ADRA1A P35348 2/20 0.36
CNR1 P21554 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ABCC3 O15438 1/20 0.35
SLC6A4 P31645 2/20 0.34
OPRK1 P41145 2/20 0.33
HTT P42858 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC22A1 O15245 1/20 0.31
CA12 O43570 1/20 0.31
EGFR P00533 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL10867491 1.00 LMNA (0.36) LMNAKDM4EADRA1ACNR1TDP1
SCHEMBL3951779 0.90 KDM4E (0.41) LMNAKDM4EADRA1ACNR1TDP1
SCHEMBL19742878 0.87
SCHEMBL5056954 0.87 ALDH1A1 (0.32) LMNASLC6A4OPRK1ALDH1A1CA12
SCHEMBL20996680 0.85 ALDH1A1 (0.35) TDP1SLC6A4OPRK1ALDH1A1ALOX15
SCHEMBL3634011 0.85
SCHEMBL5927856 0.83 ALDH1A1 (0.38) LMNASMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL2855119 0.82 LMNA (0.68) LMNAKDM4EADRA1ACNR1TDP1
SCHEMBL5128930 0.82
SCHEMBL1720055 0.80

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-114096642-B Method for removing and converting amine in refinery desalters BL 科技公司 2024-03-01 CN claimed