SCHEMBL5317025

SCHEMBL5317025

COC(=O)c1cc(NCCCOc2ccccc2)ccc1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
GCGR P47871 1/20 0.45
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
PPARG P37231 1/20 0.42
BRD4 O60885 1/20 0.41
NPC1 O15118 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
Methoxymethane SCHEMBL5317030 0.91 L3MBTL1 (0.47) L3MBTL1GCGRMTNR1AMTNR1BRAB9A
SCHEMBL5318376 0.90 FAAH (0.46) L3MBTL1GCGRMAPTRAB9AKMT2A
SCHEMBL5319097 0.86 KMT2A (0.42) L3MBTL1MAPTRAB9AKDM4EALDH1A1
SCHEMBL5317740 0.86 MAPT (0.41) L3MBTL1GCGRMTNR1AMTNR1BMAPT
SCHEMBL5317330 0.86 FAAH (0.44) L3MBTL1MTNR1AMTNR1BMAPTRAB9A
SCHEMBL5317703 0.85 KMT2A (0.44) L3MBTL1MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL5321024 0.84 KDM4E (0.42) MAPTKDM4EALDH1A1CYP2C19KMT2A
SCHEMBL5317042 0.83 MAPT (0.62) MAPTRAB9AKDM4EALDH1A1CYP1A2
Methoxymethane SCHEMBL5318378 0.82 PPARA (0.47) L3MBTL1GCGRMAPTRAB9AKDM4E
SCHEMBL5321010 0.82 RAB9A (0.46) L3MBTL1MTNR1AMTNR1BRAB9AKDM4E

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-2007119984-A1 SALICYLIC ACID DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING THEM NEUROTECH CO., LTD. (KR) 2007-10-25 WO disclosed