SCHEMBL8069170

SCHEMBL8069170

CCCCC(CCC(C)O)CC(=O)c1ccccc1.CCCCC(CCCC)C(O)C(=NO)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
CA2 P00918 1/20 0.34
CYP3A4 P08684 1/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DRD3 P35462 1/20 0.34
MAPK1 P28482 1/20 0.33
TSHR P16473 1/20 0.33
CNR2 P34972 1/20 0.33
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL207882 0.86 KMT2A (0.44) ALDH1A1KMT2AMEN1NPC1CA2
SCHEMBL207033 0.82 PTGS2 (0.38) ALDH1A1KMT2AMEN1CNR2POLB
SCHEMBL8531770 0.81 PRSS1 (0.46) ALDH1A1KMT2AMEN1NPC1LMNA
SCHEMBL6689638 0.80 CSNK1E (0.39) ALDH1A1CNR2KDM4ECES2CES1
SCHEMBL4218253 0.80 PTGS2 (0.36) ALDH1A1KMT2AMEN1CNR2POLB
SCHEMBL2279350 0.78 CSNK1E (0.41) ALDH1A1NPC1LMNASMN1; SMN2KDM4E
SCHEMBL6695459 0.78 CSNK1E (0.41) ALDH1A1NPC1LMNASMN1; SMN2KDM4E
SCHEMBL8530161 0.78 KMT2A (0.46) ALDH1A1KMT2AMEN1NPC1CYP3A4
SCHEMBL9542823 0.77 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1CA2CYP3A4
SCHEMBL207035 0.76 ALDH1A1 (0.38) ALDH1A1NPC1CA2CYP3A4LMNA

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
US-6096217-A Supported liquid membrane separation LOCKHEED MARTIN ENERGY RESEARCH CORPORATION (US) 2000-08-01 US disclosed