SCHEMBL9736807

SCHEMBL9736807

COCC1(C)Oc2ccc([N+](=O)[O-])cc2C(OC2=CC(=O)CC2)=C1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.36
ALDH1A1 P00352 2/20 0.33
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
AR P10275 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
AKR1B1 P15121 1/20 0.31
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PTPRC P08575 3/20 0.30
S100A4 P26447 2/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
CES1 P23141 1/20 0.30
CHRM2 P08172 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
SCHEMBL9735707 0.85 MALT1 (0.33) MALT1MAPT
SCHEMBL9736303 0.82 MALT1 (0.36) MALT1
SCHEMBL9736109 0.82 CNR2 (0.35) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL9737094 0.79 MALT1 (0.35) MALT1ALDH1A1NPC1RAB9AMAPT
SCHEMBL9737016 0.79 MALT1 (0.35) MALT1ALDH1A1NR3C1PGRNR3C2
SCHEMBL9735717 0.79 CCNE1 (0.34) MALT1ALDH1A1NR3C1PGRNR3C2
SCHEMBL9736959 0.78 KDM4E (0.33) MALT1ALDH1A1NR3C1PGRNR3C2
SCHEMBL9734455 0.78 MALT1 (0.35) MALT1ALDH1A1NPC1RAB9AMAPT
SCHEMBL9735261 0.74 NR1H4 (0.38) MALT1ALDH1A1NR3C1PGRNR3C2
SCHEMBL9737279 0.72 CHRM2 (0.34) MALT1ALDH1A1NPC1RAB9AMAPT

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-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed