SCHEMBL9491145

SCHEMBL9491145

C=CCOC(C=Cc1ccccc1)OC

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
TRPA1 O75762 2/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
IDO1 P14902 2/20 0.37
HTR2A P28223 3/20 0.35
RELA Q04206 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL1532600 0.82 TRPA1 (0.48) MEN1KMT2ATRPA1KDM4EMAPT
SCHEMBL1532602 0.82 TRPA1 (0.48) MEN1KMT2ATRPA1KDM4EMAPT
SCHEMBL9493051 0.79 MEN1 (0.41) MEN1KMT2ATRPA1KDM4EMAPT
SCHEMBL10624020 0.78 MEN1 (0.62) MEN1KMT2AKDM4ELMNAGAA
SCHEMBL4830721 0.77 MEN1 (0.60) MEN1KMT2AKDM4ELMNAGAA
SCHEMBL3276111 0.73 MEN1 (0.51) MEN1KMT2ATRPA1HTR2ARELA
SCHEMBL8740782 0.73 MEN1 (0.51) MEN1KMT2ATRPA1HTR2ARELA
SCHEMBL10708240 0.72 MEN1 (0.55) MEN1KMT2ATRPA1LMNAGAA
SCHEMBL10708234 0.72 MEN1 (0.55) MEN1KMT2ATRPA1LMNAGAA
SCHEMBL3320431 0.71 CYP1A2 (0.46) MEN1KMT2ATRPA1LMNAMAPT

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-0229033-B1 THIOL/ENE COMPOSITIONS LOCTITE (IRELAND) Ltd. (IE) 1993-03-03 EP disclosed
US-5021512-A Curable LOCTITE (IRELAND) LTD. (IE) 1991-06-04 US disclosed
WO-1988002879-A1 VISIBLE LIGHT CURABLE FREE RADICAL COMPOSITIONS CONTAINING pi-ARENE METAL COMPLEXES LOCTITE CORPORATION (US) 1988-04-21 WO disclosed
EP-0229033-A2 Thiol/ene compositions LOCTITE (IRELAND) Ltd. (IE) 1987-07-15 EP disclosed