SCHEMBL5517003

SCHEMBL5517003

CCCCOC(=O)N1CCc2oc3c(OC)ccc(C(=O)Oc4ccc([N+](=O)[O-])cc4)c3c2C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
MGLL Q99685 2/20 0.38
FAAH O00519 2/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL73835 0.94 KMT2A (0.43) HRH2HRH1FAAHKMT2AMEN1
SCHEMBL73832 0.88 KMT2A (0.43) HRH2HRH1FAAHKMT2AMEN1
SCHEMBL73236 0.86 MAPT (0.43) FAAHKMT2AMEN1ALDH1A1MAPT
SCHEMBL72465 0.75 PTGDR2 (0.45) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL8301729 0.72 MGLL (0.64) HRH2HRH1MGLLFAAHKMT2A
SCHEMBL72705 0.69 PTGDR2 (0.42) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL7050093 0.69 PDE4A (0.48) KMT2ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL73099 0.69 PTGDR2 (0.44) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL75121 0.68 MAPT (0.45) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL73073 0.67 ADORA1 (0.42) MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831227-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS Glenmark Pharmaceuticals S.A. (CH) 2007-09-12 EP claimed
WO-2006064355-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS S.A. (US) 2006-06-22 WO claimed