SCHEMBL6170797

SCHEMBL6170797

C#CC(O)(c1ccccc1)c1ccc(OCCOCCOCCO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.47
ALDH1A1 P00352 3/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.41
CYP3A4 P08684 3/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 2/20 0.41
CASP1 P29466 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 2/20 0.39
MIF P14174 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
APAF1 O14727 1/20 0.37

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
SCHEMBL719359 0.91 ALDH1A1 (0.55) ALDH1A1RECQLSMN1; SMN2CYP3A4MEN1
SCHEMBL28673732 0.88 APP (0.46) APPALDH1A1SMN1; SMN2CYP3A4MEN1
SCHEMBL6170793 0.81 MEN1 (0.35) APPALDH1A1MEN1LMNAKMT2A
SCHEMBL28365758 0.81 LTA4H (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL9933229 0.81 LTA4H (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL7815315 0.80 L3MBTL1 (0.40) APPALDH1A1SMN1; SMN2CYP3A4MEN1
SCHEMBL24678322 0.78 CYP3A4 (0.49) ALDH1A1RECQLSMN1; SMN2CYP3A4MEN1
SCHEMBL1815976 0.78 CYP3A4 (0.49) APPALDH1A1RECQLSMN1; SMN2CYP3A4
SCHEMBL1817358 0.78 SMN1; SMN2 (0.45) APPALDH1A1RECQLSMN1; SMN2CYP3A4
SCHEMBL1812486 0.78 KIF11 (0.49) ALDH1A1SMN1; SMN2MEN1LMNAKMT2A

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-1112263-B1 POLYMERIZABLE POLYALKOXYLATED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2005-06-08 EP disclosed
EP-1112263-A1 POLYMERIZABLE POLYALKOXYLATED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2001-07-04 EP disclosed
US-6113814-A PHOTOCHROMIC; END-CAPPED WITH A POLYMERIZABLE GROUP. TRANSITIONS OPTICAL, INC. (US) 2000-09-05 US disclosed
WO-2000015629-A1 POLYMERIZABLE POLYALKOXYLATED NAPHTHOPYRANS PPG INDUSTRIES OHIO, INC. (US) 2000-03-23 WO disclosed