SCHEMBL7719965

SCHEMBL7719965

CCCCCCCCCc1cccc(OCCOCCO)c1CCCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPK1 P28482 1/20 0.54
CASP1 P29466 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SLCO1B3 Q9NPD5 1/20 0.54
SLCO1B1 Q9Y6L6 1/20 0.54
LTB4R Q15722 1/20 0.51
LTB4R2 Q9NPC1 1/20 0.51
CNR1 P21554 5/20 0.47
CNR2 P34972 5/20 0.47
PTGS2 P35354 2/20 0.46
ALOX5 P09917 1/20 0.46
THRB P10828 2/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.45

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
Oxirane SCHEMBL11087690 0.93 SMN1; SMN2 (0.47) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL1031044 0.90 LTB4R (0.53) LTB4RLTB4R2CNR1CNR2PTGS2
SCHEMBL10996607 0.90 LTB4R (0.61) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL10992809 0.90 LTB4R (0.61) MEN1KMT2AUSP2ALDH1A1LMNA
Glyoxylate SCHEMBL11448376 0.89 LTB4R (0.47) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL11002455 0.88 MEN1 (0.58) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL10581916 0.88 MEN1 (0.58) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL542332 0.88 MEN1 (0.58) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL1741013 0.88 MEN1 (0.58) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL5145456 0.88 MEN1 (0.58) MEN1KMT2AUSP2ALDH1A1LMNA

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-6383239-B1 COMPOSITE MATERIAL OF VARIOUS HARDNESS TOKYO MAGNETIC PRINTING CO., LTD. (JP) 2002-05-07 US disclosed