SCHEMBL4734451

SCHEMBL4734451

CNC1CCC(Cc2cc(-c3ccc(C(=O)C(F)(F)F)cc3)ccc2OC)(C(N)=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.38
PDE4B Q07343 9/20 0.38
PDE4C Q08493 9/20 0.38
PDE4D Q08499 9/20 0.38
MLYCD O95822 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
EPHX2 P34913 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL4731286 0.90 SRD5A2 (0.35) KMT2AMEN1SMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL4733347 0.89 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DKMT2A
Hydrochloric Acid SCHEMBL4729661 0.88 MEN1 (0.42) PDE4APDE4BPDE4CPDE4DKMT2A
Hydrochloric Acid SCHEMBL4735482 0.87 MLYCD (0.32) MLYCD
Hydrochloric Acid SCHEMBL4783964 0.87 HTR2C (0.40) PDE4APDE4BPDE4CPDE4DL3MBTL1
Hydrochloric Acid SCHEMBL4735429 0.86 PPIB (0.42)
Hydrochloric Acid SCHEMBL4780163 0.85 CYP1A2 (0.37) PDE4APDE4BPDE4CPDE4DKMT2A
Hydrochloric Acid SCHEMBL4732641 0.85 HTR2C (0.39) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
Hydrochloric Acid SCHEMBL4734463 0.85 CYP1A2 (0.39) PDE4APDE4BPDE4CPDE4DKMT2A
Hydrochloric Acid SCHEMBL4782971 0.85 SMPD1 (0.37) PDE4APDE4BPDE4CPDE4DKMT2A

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-2008057497-A2 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed