SCHEMBL3489695

SCHEMBL3489695

CC(OC(=O)Cl)c1ccc2c(c1)OC([N+](=O)[O-])O2

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.31
PTGS1 P23219 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MGLL Q99685 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
MEN1 O00255 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2042659 0.87 P2RY6 (0.32) PTGS2PTGS1GAAMAPTMGLL
SCHEMBL9562071 0.71 RAB9A (0.35) GAAMAPTMEN1RAB9AKMT2A
SCHEMBL4876482 0.71 ALDH1A1 (0.49) GAAMAPTMEN1KMT2A
SCHEMBL18037134 0.70 ALDH1A1 (0.50) MAPTMEN1KMT2A
Methane SCHEMBL3489699 0.69 ALDH1A1 (0.41) MAPTMEN1RAB9AKMT2A
SCHEMBL669304 0.67
SCHEMBL136981 0.65 FFAR2 (0.49) GAAMEN1RAB9AKMT2A
SCHEMBL1426688 0.64 ALDH1A1 (0.46) PTGS2MAPTMEN1RAB9AKMT2A
SCHEMBL7598875 0.64 PDK1 (0.43) GAAMAPTMEN1KMT2A
SCHEMBL2945569 0.64 ALDH1A1 (0.46) GAAMEN1RAB9AKMT2A

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
US-20100056392-A1 MICROSTRUCTURE AND MICRODOMAIN MICROARRAYS, METHODS OF MAKING SAME AND USES THEREOF ENERGY, UNITED STATES DEPARTMENT OF 2010-03-04 US disclosed
US-20080188618-A1 Porous Acrylate Copolymer Films and Uses Therefor ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2008-08-07 US disclosed
EP-1910826-A2 MICROSTRUCTURE AND MICRODOMAIN MICROARRAYS, METHODS OF MAKING AND USING THEREOF Arizona Board of Regents, acting for and on behalf of Arizona State University (US) 2008-04-16 EP disclosed
WO-2006138479-A2 MICROSTRUCTURE AND MICRODOMAIN MICROARRAYS, METHODS OF MAKING AND USING THEREOF ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2006-12-28 WO disclosed