SCHEMBL13625842

SCHEMBL13625842

CC(C)(C)c1ccc(COC(=O)c2cc(CO)cc(C(=O)OCc3ccc(C(C)(C)C)cc3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.59
PRKCD Q05655 1/20 0.59
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
EPHX2 P34913 1/20 0.48
NR4A2 P43354 2/20 0.47
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NR4A1 P22736 1/20 0.46
NR4A3 Q92570 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
NAAA Q02083 1/20 0.42

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
SCHEMBL6669799 0.85 TDP1 (0.60) PRKCAPRKCDNPC1RAB9ANR4A2
SCHEMBL20679874 0.85 NPC1 (0.55) NPC1RAB9ANR4A2RXRARXRB
SCHEMBL10392942 0.84 KMT2A (0.65) NPC1RAB9ANR4A2RXRARXRB
SCHEMBL21098985 0.81 NPC1 (0.51) NPC1RAB9AEPHX2NR4A2RXRA
SCHEMBL31715823 0.80 TDP1 (0.69) NPC1RAB9ANR4A2RXRARXRB
SCHEMBL11002185 0.80 KMT2A (0.74) NPC1RAB9ANR4A2RXRARXRB
SCHEMBL4314829 0.80 KMT2A (0.68) PRKCAPRKCDNPC1RAB9ATDP1
SCHEMBL8581850 0.79 TDP1 (0.54) PRKCAPRKCDNPC1RAB9ANR4A2
SCHEMBL8839073 0.79 RXRA (0.68) NPC1RAB9AEPHX2NR4A2RXRA
SCHEMBL18320469 0.77 KMT2A (0.69) NPC1RAB9ANR4A2RXRARXRB

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
WO-2009136001-A1 PROTEIN KINASE MODULATING AGENTS TUOMINEN RAIMO (FI) 2009-11-12 WO disclosed