SCHEMBL8994960

SCHEMBL8994960

CCOC(=N)c1cccc(OCCCCCOc2ccc(C(=O)N(CC)CC)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
PLA2G4B P0C869 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
MAPK1 P28482 1/20 0.47
PRSS1 P07477 4/20 0.47
SMPD1 P17405 3/20 0.46
KMT2A Q03164 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL8995027 0.91 NPC1 (0.54) LMNANPC1RAB9ASMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL8994879 0.84 PRSS1 (0.62) PRSS1
SCHEMBL8994940 0.82 MAPT (0.52) LMNANPC1RAB9ASMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL8994944 0.77 PRSS1 (0.68) HRH3PRSS1
SCHEMBL8994945 0.76 LTB4R (0.55) L3MBTL1PLA2G4BHRH3KMT2A
SCHEMBL8995101 0.76 PDE10A (0.51) NPC1RAB9APLA2G4B
SCHEMBL20333167 0.76 PRMT1 (0.53) HRH3PRSS1
SCHEMBL8995072 0.76 MLYCD (0.46) LMNASMN1; SMN2L3MBTL1PLA2G4BTDP1
Hydrochloric Acid SCHEMBL8994889 0.75 LMNA (0.47) LMNANPC1RAB9ASMN1; SMN2PLA2G4B
SCHEMBL3731767 0.74 TP53 (0.50) LMNANPC1RAB9ASMN1; SMN2L3MBTL1

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