SCHEMBL3789792

SCHEMBL3789792

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 2/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
USP2 O75604 1/20 0.47
GAA P10253 3/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
CNR2 P34972 1/20 0.46
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.44

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
SCHEMBL27660424 0.85 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL540772 0.85 STAT3 (0.54) NPC1RAB9ASMN1; SMN2TP53HPGD
Hydrochloric Acid SCHEMBL11853756 0.84 STAT3 (0.53) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL344646 0.78 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL11524222 0.78 KMT2A (0.50) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL29603325 0.78 MAPT (0.59) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL152563 0.78 MAPT (0.59) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL118592 0.78 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL1276319 0.77 STAT3 (0.46) NPC1RAB9ASMN1; SMN2TP53HPGD
Methyl 2,3-Dimethoxybenzoate SCHEMBL311487 0.76 GAA (0.66) NPC1RAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170250-A1 USE OF NANODISPERSIONS TO PROTECT WATER-SOLUBLE INGREDIENTS IN COSMETIC END FORMULATIONS BASF SE (DE) 2010-04-07 EP disclosed
EP-2099530-A1 UV ABSORBER FORMULATIONS Ciba Holding Inc. (CH) 2009-09-16 EP disclosed
WO-2009016064-A1 USE OF NANODISPERSIONS TO PROTECT WATER-SOLUBLE INGREDIENTS IN COSMETIC END FORMULATIONS BASF SE (CH) 2009-02-05 WO disclosed
WO-2008080892-A1 UV ABSORBER FORMULATIONS CIBA HOLDING INC. (CH) 2008-07-10 WO disclosed