SCHEMBL21339941

SCHEMBL21339941

C=CCOCCC(C)CCCC(C)CCCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
PTPN1 P18031 2/20 0.38
POLB P06746 1/20 0.37
BLM P54132 1/20 0.37
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL14571178 0.84 TDP1 (0.46) LMNATDP1MEN1KMT2ACYP3A4
SCHEMBL1645830 0.83
SCHEMBL215501 0.82 TDP1 (0.44) LMNATDP1MEN1KMT2ACYP3A4
SCHEMBL16377876 0.81 LMNA (0.65) LMNAMEN1KMT2ACYP3A4ALOX15
SCHEMBL16335543 0.81 LMNA (0.65) LMNAMEN1KMT2ACYP3A4ALOX15
SCHEMBL6535475 0.81 LMNA (0.65) LMNAMEN1KMT2ACYP3A4ALOX15
SCHEMBL229440 0.81 LMNA (0.48) LMNATDP1MEN1KMT2ACYP3A4
SCHEMBL3095348 0.80 TDP1 (0.43) LMNATDP1MEN1KMT2ACYP3A4
SCHEMBL9337831 0.80 TDP1 (0.43) LMNATDP1MEN1KMT2ACYP3A4
SCHEMBL2124576 0.80 TDP1 (0.43) LMNATDP1MEN1KMT2ACYP3A4

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
WO-2019171005-A1 FUNCTIONALISED MATERIAL DERIVED FROM CELLULOSE UNIVERSITE DE NANTES (FR) 2019-09-12 WO disclosed