SCHEMBL8325988

SCHEMBL8325988

O=C(Cl)c1ccc(OC(F)F)c2oc3c(c12)CCCC3

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.35
PDE4A P27815 3/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
TSHR P16473 2/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR6 P50406 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GBA1 P04062 1/20 0.30

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
SCHEMBL8323847 0.88 TSHR (0.37) TSHRMEN1MAPTKMT2AMAPK1
SCHEMBL8319163 0.83 ALDH1A1 (0.39) PDE4DPDE4APDE4BPDE4CTSHR
SCHEMBL8320953 0.82 ALDH1A1 (0.39) PDE4DPDE4APDE4BPDE4CTSHR
SCHEMBL8324502 0.81 PDE4A (0.33) PDE4DPDE4APDE4BPDE4C
SCHEMBL8324231 0.80 ALDH1A1 (0.43) MEN1MAPTHTTKMT2AMAPK1
SCHEMBL8324421 0.79 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CTSHR
SCHEMBL8324499 0.77 CNR2 (0.35) PDE4DPDE4APDE4BPDE4C
SCHEMBL8325539 0.76 ALDH1A1 (0.50) PDE4DPDE4APDE4BPDE4CTSHR
SCHEMBL5809786 0.69 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL6921360 0.68 ALDH1A1 (0.43) TSHRMEN1LMNAMAPTKMT2A

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