SCHEMBL8614034

SCHEMBL8614034

C=CCN(CCOC(=O)C(=C)C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.43
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
PPARG P37231 1/20 0.39
MAPT P10636 5/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
KCNH2 Q12809 1/20 0.37
TGM2 P21980 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL8611410 0.94 MMP14 (0.44) LSSATML3MBTL1ALDH1A1KDM4E
SCHEMBL12895484 0.90 ATM (0.46) ATML3MBTL1ALDH1A1LMNAHTT
SCHEMBL7096253 0.87 ATM (0.49) ATML3MBTL1ALDH1A1LMNAHTT
SCHEMBL9655690 0.86 PPARG (0.46) ATML3MBTL1ALDH1A1LMNAHTT
SCHEMBL16311864 0.86 ATM (0.43) ATML3MBTL1ALDH1A1LMNAHTT
SCHEMBL625611 0.84 MMP14 (0.49) ATML3MBTL1ALDH1A1PPARGMAPT
SCHEMBL625610 0.84 MMP14 (0.49) ATML3MBTL1ALDH1A1PPARGMAPT
SCHEMBL10608113 0.83 KDM4E (0.41) LSSATML3MBTL1ALDH1A1KDM4E
SCHEMBL8624033 0.82 LSS (0.42) LSSATML3MBTL1ALDH1A1KDM4E
SCHEMBL9313658 0.82 ACHE (0.47) L3MBTL1ALDH1A1LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0554904-B1 Organosilicon polymers, and dyes, exhibiting nonlinear optical response ALLIANT TECHSYSTEMS INC (US) 1998-06-10 EP disclosed
US-5714304-A AN ORGANOSILICON CROSSLINKED POLYMER IS THE REACTION PRODUCT OF ATLEAST ONE CYCLIC POLYSILOXANE HAVING ATLEAST TWO HYDROSILATION REACTIVE GROUPS, AN ORGANIC DYE WITH ELECTRON ACCEPTOR AND DONOR GROUPS WITH DOUBLE BOND, AND A POLYENE HERCULES INCORPORATED (US) 1998-02-03 US disclosed
US-5663308-A DYES CONTAINING ELECTRON DONOR/ACEPTOR GROUPS LINKED BY DELOCALIZED PI ELECTRON SYSTEM AND TWO OR MORE PENDANT GROUPS HERCULES INCORPORATED (US) 1997-09-02 US disclosed
US-5605726-A FILMS, SEMICONDUCTORS HERECULES INCORPORATED (US) 1997-02-25 US disclosed
US-5298588-A Organosilicon polymers, and dyes, exhibiting nonlinear optical response HERCULES INCORPORATED (US) 1994-03-29 US disclosed
US-5254655-A Made by hydrosilation of cyclic polysiloxanes and carbon-carbon bond-containing dye HERCULES INCORPORATED (US) 1993-10-19 US disclosed
EP-0554904-A2 Organosilicon polymers, and dyes, exhibiting nonlinear optical response HERCULES INCORPORATED (US) 1993-08-11 EP disclosed