SCHEMBL4242992

SCHEMBL4242992

O=C(c1ccccc1)C1C=CCC=C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
HBB P68871 1/20 0.42
MCL1 Q07820 1/20 0.42
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
EPHX1 P07099 2/20 0.41
CES1 P23141 3/20 0.41
CES2 O00748 2/20 0.41
TSHR P16473 2/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL13985061 0.80 MAPT (0.47) MAPTALOX15HTTHBBMCL1
SCHEMBL10704975 0.73 MAPT (0.41) MAPTALOX15HTTHBBMCL1
SCHEMBL136598 0.73 MAPT (0.41) MAPTALOX15HTTHBBMCL1
SCHEMBL528381 0.72 MAPT (0.40) MAPTALOX15HTTHBBMCL1
SCHEMBL3270605 0.72 MAPT (0.40) MAPTALOX15HTTHBBMCL1
SCHEMBL156512 0.72 MAPT (0.40) MAPTALOX15HTTHBBMCL1
SCHEMBL659656 0.72 GSK3B (0.41) MAPTALOX15HTTHBBMCL1
SCHEMBL993045 0.72 CES1 (0.45) MAPTALOX15HTTHBBMCL1
SCHEMBL363122 0.72 MAPT (0.40) MAPTALOX15HTTHBBMCL1
SCHEMBL2470208 0.72 EPHX1 (0.43) MAPTALOX15HTTHBBEPHX1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298976-A1 Fiber-Reinforced Composition Resin Composition, Adhesive and Sealant HITACHI, LTD. (JP) 2009-12-03 US disclosed
EP-0426735-B1 FLUOROPOLYMER BASED COATING COMPOSITION FOR ADHESION DIRECT TO GLASS PPG INDUSTRIES INC (US) 1996-01-31 EP disclosed
EP-0426735-A1 FLUOROPOLYMER BASED COATING COMPOSITION FOR ADHESION DIRECT TO GLASS. PPG INDUSTRIES INC (US) 1991-05-15 EP disclosed
WO-1990001054-A1 FLUOROPOLYMER BASED COATING COMPOSITION FOR ADHESION DIRECT TO GLASS PPG INDUSTRIES, INC. (US) 1990-02-08 WO disclosed
US-4879345-A USING SILANE COUPLIN AGENT PPG INDUSTRIES, INC. (US) 1989-11-07 US disclosed