SCHEMBL8327236

SCHEMBL8327236

COc1ccc(C(=O)Nc2ccc(F)cc2)c2c3c(oc12)CCCC3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
TP53 P04637 5/20 0.46
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
MEN1 O00255 1/20 0.43
PSMD14 O00487 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 3/20 0.43
RECQL P46063 2/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.42
CASP3 P42574 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL8324668 0.87 PDE4A (0.59) MAPTTSHRSMN1; SMN2PDE4APDE4B
SCHEMBL8318940 0.86 PDE4A (0.58) MAPTTSHRSMN1; SMN2PDE4APDE4B
SCHEMBL8325303 0.78 PDE4D (0.64) PDE4APDE4BPDE4CPDE4D
SCHEMBL8326127 0.78 PDE4D (0.49) MAPTTSHRPDE4APDE4BPDE4C
SCHEMBL8319163 0.78 ALDH1A1 (0.39) MAPTTSHRSMN1; SMN2TP53PDE4A
SCHEMBL8319816 0.77 PDE4D (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL5025471 0.77 MAPT (0.58) MAPTTP53PDE4APDE4BPDE4C
SCHEMBL8320953 0.77 ALDH1A1 (0.39) MAPTTSHRSMN1; SMN2TP53PDE4A
SCHEMBL8324421 0.76 PDE4D (0.44) MAPTTSHRSMN1; SMN2PDE4APDE4B
SCHEMBL8324954 0.74 PDE4A (0.53) MAPTSMN1; SMN2PDE4APDE4BPDE4C

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
WO-2004069831-A1 TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LTD. (US) 2004-08-19 WO disclosed