SCHEMBL9252923

SCHEMBL9252923

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARG P13631 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL9065459 0.91 KIF11 (0.33) RARGNPC1RAB9AMAPK1
SCHEMBL8133892 0.89 RAB9A (0.33) RARGNPC1RAB9AMAPK1KMT2A
SCHEMBL8550659 0.87 RARG (0.33) RARGNPC1RAB9AMAPK1KMT2A
SCHEMBL8128979 0.81 RARG (0.39) RARGMAPK1MEN1KMT2ATAAR1
SCHEMBL7959833 0.79 RARG (0.35) RARGNPC1RAB9AMAPK1
SCHEMBL8133050 0.79 ALDH1A1 (0.34) RARGMAPK1MEN1KMT2A
SCHEMBL8380382 0.78 RARG (0.36) RARGNPC1RAB9AMAPK1KMT2A
SCHEMBL8379337 0.77 KMT2A (0.32) RARGNPC1RAB9AKMT2A
SCHEMBL7960031 0.74 RARG (0.33) RARG
SCHEMBL8550666 0.72 HTT (0.34) RARG

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-5455238-A Bactericides ROUSSEL UCLAF (FR) 1995-10-03 US disclosed