SCHEMBL8181774

SCHEMBL8181774

CCCCCCC(C)Oc1ccc(-c2ccc(C(=O)O)cc2)cc1NC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.51
PDE4B Q07343 3/20 0.51
PDE4C Q08493 3/20 0.51
PDE4D Q08499 3/20 0.51
PTPN11 Q06124 2/20 0.50
RARB P10826 10/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RARA P10276 1/20 0.43
MAPT P10636 1/20 0.43
MTOR P42345 1/20 0.43
KMT2A Q03164 1/20 0.43
SRD5A2 P31213 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2A1 P68400 1/20 0.40

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
SCHEMBL8181773 1.00 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPTPN11
SCHEMBL8178707 0.91 ALDH1A1 (0.45) PDE4APDE4BPDE4CPDE4DPTPN11
SCHEMBL8178705 0.91 ALDH1A1 (0.45) PDE4APDE4BPDE4CPDE4DPTPN11
SCHEMBL3184382 0.84 PTPN11 (0.55) PTPN11ALDH1A1
SCHEMBL8181779 0.83 PTPN11 (0.68) PDE4APDE4BPDE4CPDE4DPTPN11
SCHEMBL8170024 0.82 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPTPN11
SCHEMBL9651201 0.82 PTPN11 (0.57) PDE4APDE4BPDE4CPDE4DPTPN11
SCHEMBL9149323 0.82 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPTPN11
SCHEMBL8170027 0.82 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPTPN11
SCHEMBL8200723 0.82 PTPN11 (0.50) PTPN11RARBMEN1ALDH1A1RARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143208-A Optical element and compounds used in its manufacture ROLIC AG (CH) 2000-11-07 US disclosed
US-5335303-A Quasi-phased matched optical waveguide frequency conversion element having a ferroelectric liquid crystalline material exhibiting a periodic structure HOFFMANN-LA ROCHE INC. (US) 1994-08-02 US disclosed