SCHEMBL18601894

SCHEMBL18601894

COc1cc2c(c(OC)c1O)C(=O)c1ccccc1C2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MAPT P10636 5/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 4/20 0.59
LCK P06239 1/20 0.59
GLA P06280 1/20 0.59
THRB P10828 1/20 0.59
LIMK1 P53667 1/20 0.59
LIMK2 P53671 1/20 0.59
EPHX2 P34913 3/20 0.58
KDM4E B2RXH2 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
USP2 O75604 1/20 0.54
DUSP3 P51452 1/20 0.54
MAOA P21397 2/20 0.53
BCL2 P10415 1/20 0.50
MCL1 Q07820 1/20 0.50

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
SCHEMBL23198991 0.88 EPHX2 (0.65) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL23199010 0.87 MAPT (0.69) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL8341400 0.86 MAPT (0.69) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL16226054 0.85 EPHX2 (0.57) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL16226388 0.85 MEN1 (0.60) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL6361693 0.84 EPHX2 (0.67) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL16226066 0.83 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL30020897 0.83 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL16226681 0.82 TTR (0.51) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL16226137 0.82 ALDH1A1 (0.51) RAB9ANPC1SMN1; SMN2MAPTMEN1

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
EP-2301520-B1 Oxidative dye HENKEL AG & CO KGAA (DE) 2017-03-08 EP disclosed