SCHEMBL8995060

SCHEMBL8995060

COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCCOc1ccc(C=NNC(=O)c2cccnc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.57
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 3/20 0.57
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
POLB P06746 3/20 0.56
PKM P14618 1/20 0.56
LTB4R Q15722 2/20 0.56
MAPK1 P28482 3/20 0.54
TDP1 Q9NUW8 3/20 0.53
GAA P10253 2/20 0.53
LTB4R2 Q9NPC1 1/20 0.53
HTT P42858 1/20 0.52
PSMD14 O00487 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 3/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL8994983 0.91 LTB4R (0.59) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9118843 0.90 LTB4R (0.61) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9116638 0.85 LTB4R (0.65) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9119933 0.83 LTB4R (0.61) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9120857 0.82 LTB4R (0.61) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9120027 0.82 LTB4R (0.60) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7711975 0.80 LTB4R (0.72) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8994985 0.79 LTB4R (0.68) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL8994890 0.79 LTB4R (0.71) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7932415 0.79 POLB (0.75) MAPTALDH1A1KDM4EHPGDSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5488160-A LEUKOTRIENE B4 RECEPTOR ANTAGONIST AS ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
US-5451700-A Leukotriene inhibitors CIBA-GEIGY CORPORATION (US) 1995-09-19 US disclosed
EP-0518819-B1 Amidino compounds, their manufacture and use as medicament CIBA GEIGY AG (CH) 1995-08-02 EP disclosed
EP-0518819-A2 Amidino compounds, their manufacture and use as medicament CIBA-GEIGY AG (CH) 1992-12-16 EP disclosed