SCHEMBL9702013

SCHEMBL9702013

CC=CC.COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCCOc1ccc(C=NN)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.68
LTB4R2 Q9NPC1 1/20 0.65
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 4/20 0.46
HPGD P15428 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.46
PLA2G4B P0C869 1/20 0.43
PRSS1 P07477 2/20 0.42
KDM4E B2RXH2 3/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL7711975 0.97 LTB4R (0.72) LTB4RLTB4R2ALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL8994890 0.96 LTB4R (0.71) LTB4RLTB4R2ALDH1A1MAPTLMNA
SCHEMBL8994985 0.94 LTB4R (0.68) LTB4RLTB4R2ALDH1A1MAPTLMNA
Fumaric Acid SCHEMBL3182319 0.93 LTB4R (0.76) LTB4RLTB4R2ALDH1A1MAPTLMNA
Maleic Acid SCHEMBL7748813 0.93 LTB4R (0.76) LTB4RLTB4R2ALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL8995021 0.93 LTB4R (0.68) LTB4RLTB4R2MAPTPLA2G4BPRSS1
SCHEMBL8994967 0.90 LTB4R (0.63) LTB4RLTB4R2ALDH1A1MAPTLMNA
SCHEMBL9699613 0.88 LTB4R (0.59) LTB4RLTB4R2ALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL9701722 0.87 LTB4R (0.58) LTB4RLTB4R2ALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL8995013 0.86 LTB4R (0.56) LTB4RLTB4R2ALDH1A1MAPTLMNA

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
EP-0518819-A2 Amidino compounds, their manufacture and use as medicament CIBA-GEIGY AG (CH) 1992-12-16 EP disclosed