SCHEMBL9065459

SCHEMBL9065459

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.33
IDO1 P14902 3/20 0.32
TDO2 P48775 3/20 0.32
RARG P13631 3/20 0.32
MAPK1 P28482 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL9252923 0.91 RARG (0.32) RARGMAPK1NPC1RAB9A
SCHEMBL8550659 0.87 RARG (0.33) KIF11RARGMAPK1NPC1RAB9A
SCHEMBL7959833 0.87 RARG (0.35) KIF11RARGMAPK1NPC1RAB9A
SCHEMBL8133892 0.79 RAB9A (0.33) RARGMAPK1NPC1RAB9A
SCHEMBL8377229 0.79 KIF11 (0.32) KIF11
SCHEMBL8380382 0.78 RARG (0.36) KIF11RARGMAPK1NPC1RAB9A
SCHEMBL8379337 0.77 KMT2A (0.32) KIF11RARGNPC1RAB9A
SCHEMBL9361830 0.77 RARG (0.36) KIF11RARGRARARARB
SCHEMBL7960031 0.74 RARG (0.33) RARGRARARARB
SCHEMBL8128979 0.72 RARG (0.39) RARGMAPK1

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-5587372-A BACERICIDES ROUSSEL UCLAF (FR) 1996-12-24 US disclosed
US-5455238-A Bactericides ROUSSEL UCLAF (FR) 1995-10-03 US disclosed