SCHEMBL8324502

SCHEMBL8324502

O=C(Cl)c1ccc(OC2CCCC2)c2oc3c(c12)CCCC3

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.33
PDE4D Q08499 8/20 0.33
PDE4B Q07343 7/20 0.33
PDE4C Q08493 7/20 0.33
CSNK2A1 P68400 2/20 0.33
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
POLB P06746 1/20 0.32
KMO O15229 1/20 0.31
MRGPRX1 Q96LB2 1/20 0.31

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
SCHEMBL8319163 0.82 ALDH1A1 (0.39) PDE4APDE4DPDE4BPDE4C
SCHEMBL8325988 0.81 PDE4D (0.35) PDE4APDE4DPDE4BPDE4C
SCHEMBL8320953 0.81 ALDH1A1 (0.39) PDE4APDE4DPDE4BPDE4C
SCHEMBL8324499 0.81 CNR2 (0.35) PDE4APDE4DPDE4BPDE4CCYP19A1
SCHEMBL8324241 0.79 PDE4D (0.52) PDE4APDE4DPDE4BPDE4C
SCHEMBL8323847 0.79 TSHR (0.37) POLB
SCHEMBL8324231 0.79 ALDH1A1 (0.43)
SCHEMBL8325518 0.71 MAPT (0.38) PDE4DPDE4B
SCHEMBL6921360 0.68 ALDH1A1 (0.43) POLB
SCHEMBL73469 0.68 PDE4A (0.41) PDE4APDE4DPDE4BPDE4CPOLB

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