SCHEMBL4025939

SCHEMBL4025939

COC(=C[C]=O)c1cccc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TP53 P04637 2/20 0.49
HPGD P15428 2/20 0.46
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
NFE2L2 Q16236 2/20 0.43
CNR2 P34972 1/20 0.43
LMNA P02545 3/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
USP2 O75604 1/20 0.41

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
SCHEMBL723648 0.85 CTSD (0.49) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL2089322 0.82 KMT2A (0.50) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL9061953 0.74 KMT2A (0.56) RAB9ANPC1SMN1; SMN2TP53HPGD
Methyl 2,3-Dimethoxybenzoate SCHEMBL311487 0.73 GAA (0.66) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL3762150 0.72 RAB9A (0.55) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL3863254 0.72 KMT2A (0.58) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL6964175 0.71 RAB9A (0.58) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL341046 0.71 NPC1 (0.58) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL29931828 0.71 NPC1 (0.58) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL152563 0.71 MAPT (0.59) RAB9ANPC1SMN1; SMN2TP53HPGD

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
WO-2009031105-A2 NON-HOMOGENEOUS MODIFICATION OF LIQUIDS KONINKLIJKE PHILIPS ELECTRONICS N. V. (NL) 2009-03-12 WO disclosed
EP-2034028-A1 Non-homogeneous modification of liquids Koninklijke Philips Electronics N.V. (NL) 2009-03-11 EP disclosed