SCHEMBL2553094

SCHEMBL2553094

COc1ccc(C(=O)O)c(OC)c1.COc1ccc(C(=O)O)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.66
ALDH1A1 P00352 4/20 0.65
MAPT P10636 4/20 0.59
KDM4E B2RXH2 3/20 0.59
HPGD P15428 2/20 0.59
RAD52 P43351 1/20 0.59
ABCG2 Q9UNQ0 2/20 0.58
KMT2A Q03164 2/20 0.58
AKR1C3 P42330 2/20 0.58
AKR1C2 P52895 2/20 0.58
MEN1 O00255 1/20 0.58
RAB9A P51151 1/20 0.58
TNFRSF1A P19438 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
GAA P10253 1/20 0.56
POLB P06746 1/20 0.56
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55

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
SCHEMBL29399711 1.00 NPC1 (0.66) NPC1ALDH1A1MAPTKDM4EHPGD
SCHEMBL154613 1.00 NPC1 (0.66) NPC1ALDH1A1MAPTKDM4EHPGD
Hydrochloric Acid SCHEMBL5679748 0.98 NPC1 (0.64) NPC1ALDH1A1MAPTKDM4EHPGD
SCHEMBL7702317 0.98 NPC1 (0.64) NPC1ALDH1A1MAPTKDM4EHPGD
SCHEMBL10889144 0.98 NPC1 (0.64) NPC1ALDH1A1MAPTKDM4EHPGD
Ethylene Glycol SCHEMBL11241766 0.93 NPC1 (0.58) NPC1ALDH1A1MAPTKDM4EHPGD
SCHEMBL11229800 0.88 NPC1 (0.54) NPC1ALDH1A1MAPTKDM4EHPGD
SCHEMBL4841826 0.88 NPC1 (0.66) NPC1ALDH1A1MAPTKDM4EHPGD
SCHEMBL11241756 0.86 KDM2B (0.52) NPC1ALDH1A1MAPTKDM4EHPGD
SCHEMBL285924 0.86 NPC1 (0.79) NPC1ALDH1A1MAPTKDM4EHPGD

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-2011127030-A1 ENCAPSULATES THE PROCTER & GAMBLE COMPANY (US) 2011-10-13 WO disclosed
WO-2011127011-A1 ENCAPSULATES THE PROCTER & GAMBLE COMPANY (US) 2011-10-13 WO disclosed