SCHEMBL8435541

SCHEMBL8435541

COCCOCOc1ccc(C([O])C(=O)OC(c2ccccc2)c2ccccc2)cc1OCOCCOC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 9/20 0.37
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
FDPS P14324 2/20 0.36
F2 P00734 1/20 0.36
ELANE P08246 1/20 0.36
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
KMT2A Q03164 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
TNF P01375 1/20 0.34

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
SCHEMBL9364775 0.89 FDPS (0.39) RARGRARARARBFDPSF2
SCHEMBL9364780 0.89 FDPS (0.39) RARGRARARARBFDPSF2
SCHEMBL9362238 0.88 RARG (0.38) RARGRARARARBFDPSF2
SCHEMBL9361830 0.86 RARG (0.36) RARGRARARARBFDPSF2
SCHEMBL9364664 0.80 PDE4B (0.45) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL8380382 0.76 RARG (0.36) RARGRARARARBF2ELANE
SCHEMBL7959833 0.74 RARG (0.35) RARGRARARARBF2ELANE
SCHEMBL8633735 0.74 HTR1A (0.40) RARGRARARARBF2ELANE
SCHEMBL8431237 0.72 HTR1A (0.38) HTR1AADRA1DADRA1AADRA1BNPSR1
SCHEMBL8634082 0.72 ALDH1A1 (0.36) RARGF2ELANEHTR1AADRA1D

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
US-5936083-A BACTERICIDES Uclaf, Roussel (FR) 1999-08-10 US disclosed