SCHEMBL8550666

SCHEMBL8550666

COCCOCOc1cc(C(O)(F)C(=O)OC(c2ccccc2)c2ccccc2)cc(F)c1OCOCCOC

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
RARG P13631 4/20 0.33
F2 P00734 1/20 0.32
ELANE P08246 1/20 0.32
SCN9A Q15858 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
IKBKB O14920 1/20 0.30
RARA P10276 1/20 0.30
RARB P10826 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
SCHEMBL8380385 0.81 HTT (0.39) HTTKDM4EHPGDSCN9AFFAR4
SCHEMBL8380382 0.80 RARG (0.36) KDM4EHPGDRARGF2ELANE
SCHEMBL8634080 0.78 HTT (0.39) HTTKDM4EHPGDSCN9AFFAR4
SCHEMBL7959833 0.77 RARG (0.35) RARGF2ELANEFFAR4IKBKB
SCHEMBL8550659 0.74 RARG (0.33) HPGDRARGFFAR4
SCHEMBL9252923 0.72 RARG (0.32) RARG
SCHEMBL9065459 0.72 KIF11 (0.33) RARGRARARARB
SCHEMBL8677572 0.71 MAPK1 (0.33) HTTKDM4EHPGDRARGFFAR4
SCHEMBL7962141 0.71 BLM (0.37) RARGF2ELANEFFAR4IKBKB
SCHEMBL8379337 0.69 KMT2A (0.32) KDM4EHPGDRARG

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-5883248-A QUATERNARY AMMONIUM INTERMEDIATES ROUSSEL UCLAF (FR) 1999-03-16 US disclosed
US-5763617-A Cephalosporins ROUSSEL UCLAF (FR) 1998-06-09 US disclosed