SCHEMBL8550659

SCHEMBL8550659

COCCOCOc1c(F)cc(C(O)C(=O)OC(c2ccccc2)c2ccccc2)c(F)c1OCOCCOC

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARG P13631 2/20 0.33
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
EPHX2 P34913 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
MAPK1 P28482 1/20 0.30
GAA P10253 1/20 0.30
KIF11 P52732 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL8379337 0.88 KMT2A (0.32) RARGRAB9ANPC1KMT2ALMNA
SCHEMBL9252923 0.87 RARG (0.32) RARGRAB9ANPC1KMT2AMAPK1
SCHEMBL9065459 0.87 KIF11 (0.33) RARGRAB9ANPC1MAPK1KIF11
SCHEMBL8380382 0.86 RARG (0.36) RARGRAB9ANPC1KMT2AHPGD
SCHEMBL7960031 0.83 RARG (0.33) RARGFFAR4
SCHEMBL7959833 0.78 RARG (0.35) RARGRAB9ANPC1FFAR4MAPK1
SCHEMBL8379339 0.78 HTR1A (0.36) KMT2ALMNAFFAR4ALDH1A1
SCHEMBL8133892 0.77 RAB9A (0.33) RARGRAB9ANPC1KMT2ALMNA
SCHEMBL9364775 0.76 FDPS (0.39) RARGKIF11
SCHEMBL9364780 0.76 FDPS (0.39) RARGKIF11

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 3 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
US-5712266-A Cephalosporins ROUSSEL UCLAF (FR) 1998-01-27 US disclosed