SCHEMBL7112280

SCHEMBL7112280

O=C(c1ccccc1)C1OC1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.68
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
TP53 P04637 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C9 P11712 1/20 0.65
HPGD P15428 1/20 0.65
CYP2C19 P33261 1/20 0.65
CES1 P23141 2/20 0.54
CES2 O00748 1/20 0.54
POLB P06746 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MITF O75030 1/20 0.48
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.46
BCHE P06276 1/20 0.46
MAOB P27338 1/20 0.46
LMNA P02545 1/20 0.44

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
SCHEMBL8746368 0.83 EPHX1 (0.53) EPHX1MEN1KMT2ATP53CYP1A2
SCHEMBL8746372 0.83 EPHX1 (0.53) EPHX1MEN1KMT2ATP53CYP1A2
SCHEMBL3839853 0.82 EPHX1 (1.00) EPHX1MEN1KMT2ATP53CYP1A2
SCHEMBL22754575 0.82 EPHX1 (1.00) EPHX1MEN1KMT2ATP53CYP1A2
SCHEMBL3839852 0.82 EPHX1 (1.00) EPHX1MEN1KMT2ATP53CYP1A2
SCHEMBL657100 0.82 EPHX1 (1.00) EPHX1MEN1KMT2ATP53CYP1A2
SCHEMBL6047362 0.82 EPHX1 (1.00) EPHX1MEN1KMT2ATP53CYP1A2
SCHEMBL8746369 0.80 EPHX1 (0.53) EPHX1MEN1KMT2ATP53CYP1A2
SCHEMBL655373 0.79 EPHX1 (1.00) EPHX1MEN1KMT2ATP53CYP1A2
SCHEMBL11492082 0.79 EPHX1 (0.79) EPHX1MEN1KMT2ATP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117069570-A Method for preparing beta-hydroxyketone by heterogeneous photocatalysis 山东理工大学 2023-11-17 CN disclosed
EP-1352687-A1 Preparation of new layered double hydroxides exchanged with diisopropylamide for c-c bond forming reaction Council of Scientific and Industrial Research (IN) 2003-10-15 EP disclosed
EP-0872903-B1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder SHINETSU CHEMICAL CO (JP) 2001-10-04 EP disclosed
US-6277519-B1 QUENCHING AN ALLOY MELT; COMMINUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed