SCHEMBL28746473

SCHEMBL28746473

CC(C)CCCCCCCC(C)CC(=O)OC(=O)CC(C)CCCCCCCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
BLM P54132 1/20 0.44
ACE2 Q9BYF1 1/20 0.37
PTPN1 P18031 2/20 0.37
KDM4C Q9H3R0 2/20 0.36
KDM4A O75164 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
FAAH O00519 2/20 0.33
RARB P10826 1/20 0.33
CA1 P00915 2/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 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
SCHEMBL6273123 0.94 BLM (0.50) LMNABLMPTPN1CA1MEN1
SCHEMBL30423744 0.92 BLM (0.53) LMNABLMACE2PTPN1CA1
SCHEMBL8515232 0.87 LMNA (0.49) LMNABLMACE2MEN1KMT2A
SCHEMBL6273124 0.83 LMNA (0.49) LMNABLMACE2MEN1KMT2A
SCHEMBL1739617 0.81 ACE2 (0.42) LMNAACE2CA1CYP3A4ALDH1A1
SCHEMBL27552374 0.80 KDM4C (0.34) LMNABLMKDM4CKDM4APHF8
SCHEMBL22577750 0.80 ALDH1A1 (0.42) LMNABLMPTPN1CA1CYP3A4
SCHEMBL15028271 0.80 LMNA (0.48) LMNABLMACE2PTPN1FAAH
SCHEMBL2257584 0.79 BLM (0.48) LMNABLMPTPN1KDM4CMEN1
SCHEMBL28605931 0.79 TLR4 (0.36) LMNABLMKDM4CKDM4APHF8

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-1343650-A Anticancer compound with particular structure YANG ZHENHUA (CN) 2002-04-10 CN disclosed