SCHEMBL8324499

SCHEMBL8324499

O=C(Cl)c1ccc(OCC2CC2)c2oc3c(c12)CCCC3

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.35
HTR2C P28335 5/20 0.34
HTR2B P41595 3/20 0.34
HTR2A P28223 2/20 0.34
KDM4C Q9H3R0 1/20 0.34
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PDE4D Q08499 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
KMO O15229 1/20 0.32
FAAH O00519 1/20 0.32
CNR1 P21554 1/20 0.32
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32

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
SCHEMBL8324231 0.84 ALDH1A1 (0.43)
SCHEMBL8324502 0.81 PDE4A (0.33) CYP19A1CYP11B1CYP11B2PDE4DPDE4A
SCHEMBL8327267 0.80 PDE4A (0.42) KDM4CCYP19A1CYP11B1CYP11B2PDE4D
SCHEMBL8319163 0.80 ALDH1A1 (0.39) PDE4DPDE4APDE4BPDE4C
SCHEMBL8320435 0.80 PDE4D (0.50) PDE4DPDE4APDE4BPDE4C
SCHEMBL8320953 0.79 ALDH1A1 (0.39) PDE4DPDE4APDE4BPDE4C
SCHEMBL8326243 0.77 PDE4A (0.51) HTR2CHTR2AKDM4CPDE4DPDE4A
SCHEMBL8323847 0.77 TSHR (0.37)
SCHEMBL8325988 0.77 PDE4D (0.35) PDE4DPDE4APDE4BPDE4C
SCHEMBL6921360 0.73 ALDH1A1 (0.43)

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