SCHEMBL9865877

SCHEMBL9865877

CC(C)(C)OC(=O)NCc1cccc(C(=O)NCCC(=O)OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SYK P43405 1/20 0.46
GLA P06280 1/20 0.46
NAMPT P43490 2/20 0.45
PPARG P37231 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
PRSS1 P07477 1/20 0.44
CTSG P08311 1/20 0.44
CTRB1 P17538 1/20 0.44
CMA1 P23946 1/20 0.44
NTSR1 P30989 1/20 0.44
ROCK2 O75116 1/20 0.43
HDAC1 Q13547 1/20 0.43
HSP90AA1 P07900 1/20 0.43
RAB9A P51151 1/20 0.43
GLS O94925 1/20 0.43

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
SCHEMBL9865771 0.89 MEN1 (0.56) MEN1KMT2ASYKNAMPTPRSS1
SCHEMBL9335874 0.87 PRMT5 (0.51) MEN1KMT2AGLANR1H4RAB9A
SCHEMBL3955009 0.84 SYK (0.57) MEN1KMT2ASYKPRSS1
SCHEMBL23181123 0.83 RAB9A (0.54) MEN1KMT2ASYKNR1H4NTSR1
SCHEMBL9867345 0.82 NAMPT (0.52) NAMPTNR1H4
SCHEMBL13999403 0.82 ROCK2 (0.50) NAMPTPPARGNR1H4ROCK2HDAC1
SCHEMBL9339394 0.81 CA1 (0.51) HDAC1RAB9A
SCHEMBL7145264 0.80 MGLL (0.52) RAB9A
SCHEMBL23782597 0.80 PDE5A (0.45) NR1H4ROCK2HSP90AA1RAB9A
SCHEMBL30176194 0.80 PDE5A (0.45) NR1H4ROCK2HSP90AA1RAB9A

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-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 US disclosed
EP-0372486-A2 Benzoic-acid phenylacetic-acid derivatives, their preparation and their use as medicines F. HOFFMANN-LA ROCHE AG (CH) 1990-06-13 EP disclosed