SCHEMBL7815315

SCHEMBL7815315

C#CC(O)(c1ccccc1)c1ccc(OCCOCCO)cc1OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.40
ACSS2 Q9NR19 2/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MIF P14174 1/20 0.36
APP P05067 5/20 0.36
MAPK1 P28482 3/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CASP1 P29466 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL6170797 0.80 APP (0.47) L3MBTL1LMNAMAPTKDM4EMIF
SCHEMBL719359 0.72 ALDH1A1 (0.55) ACSS2LMNAKDM4EMEN1ALDH1A1
SCHEMBL28673732 0.72 APP (0.46) L3MBTL1LMNAMAPTAPPMAPK1
SCHEMBL11572643 0.71 CYP1A1 (0.42) ACSS2MAPTMEN1ALDH1A1CYP3A4
SCHEMBL1812486 0.71 KIF11 (0.49) ACSS2LMNAMAPTKDM4EMEN1
SCHEMBL7815233 0.71 LMNA (0.56) L3MBTL1LMNAMAPTKDM4EMAPK1
SCHEMBL6170793 0.69 MEN1 (0.35) LMNAKDM4EAPPMEN1ALDH1A1
SCHEMBL9933229 0.69 LTA4H (0.51) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL28365758 0.69 LTA4H (0.51) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5391794 0.67 ALDH1A1 (0.61) L3MBTL1LMNAKDM4EAPPMAPK1

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
EP-1112263-A1 POLYMERIZABLE POLYALKOXYLATED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2001-07-04 EP disclosed
WO-2000015629-A1 POLYMERIZABLE POLYALKOXYLATED NAPHTHOPYRANS PPG INDUSTRIES OHIO, INC. (US) 2000-03-23 WO disclosed