SCHEMBL3125992

SCHEMBL3125992

C1CCC(NC2CCCCC2)CC1.O=C(O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.68
POLB P06746 2/20 0.58
KCNH2 Q12809 1/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
AGTR1 P30556 1/20 0.54
HCAR3 P49019 2/20 0.53
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
ALDH1A1 P00352 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 2/20 0.50
RXFP1 Q9HBX9 1/20 0.49

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
Cyclohexylamine SCHEMBL11339557 0.90 TP53 (0.54) TP53POLBKCNH2NPC1RAB9A
Cyclohexylamine SCHEMBL4420772 0.85 TP53 (0.69) TP53POLBKCNH2NPC1RAB9A
SCHEMBL6321963 0.85 POLB (0.67) TP53POLBKCNH2NPC1RAB9A
Dinitrophenylene SCHEMBL27647742 0.83 NPC1 (0.62) TP53POLBKCNH2NPC1RAB9A
SCHEMBL132618 0.82 TP53 (1.00) TP53NPC1RAB9ACES2CES1
SCHEMBL29490968 0.82 TP53 (1.00) TP53NPC1RAB9ACES2CES1
SCHEMBL27709081 0.82 TP53 (1.00) TP53NPC1RAB9ACES2CES1
Dinitrophenylene SCHEMBL27627506 0.81 KCNH2 (0.60) TP53POLBKCNH2NPC1RAB9A
SCHEMBL10415666 0.81 TP53 (0.96) TP53NPC1RAB9ACES2CES1
SCHEMBL8816405 0.81 TP53 (0.96) TP53NPC1RAB9ACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7824482-B2 Vapor phase corrosion inhibitors and method for their production EXCOR KORROSIONSFORSCHUNG GMBH (DE) 2010-11-02 US disclosed
EP-2080819-B1 Phase corrosion inhibitors and method for their production EXCOR KORROSIONSFORSCHUNG GMBH (DE) 2010-04-07 EP disclosed
EP-2080819-A1 Phase corrosion inhibitors and method for their production EXCOR Korrosionsforschung GmbH (DE) 2009-07-22 EP disclosed
US-20090151598-A1 combination of passivating agents which evaporate or sublimate to temporarily prevent metal corrosion in packaging; a C6-10 aliphatic monocarboxylic acid;a C6-10 aliphatic dicarboxylic acid; a primary aromatic amide; an aliphatic ester of hydroxybenzoic acid; a benzimidazole EXCOR KORROSIONSFORSCHUNG GMBH (DE) 2009-06-18 US disclosed
CN-1306066-C Vapor-phase corrosion-inhibitors and method for preparing the same EXCOR KORROSIONSFORSCHUNG GMBH (DE) 2007-03-21 CN disclosed
CN-1537179-A Vapor-phase corrosion-inhibitors and method for preparing the same О 2004-10-13 CN disclosed
EP-1281790-B1 Volatile corrosion inhibitors and process for making them EXCOR KORROSIONSFORSCHUNG GMBH (DE) 2004-08-18 EP disclosed
US-6752934-B2 USED IN PACKAGING OR IN STORAGE IN CLOSED SPACES FOR PROTECTION OF THE CONVENTIONAL METALS FOR USE SUCH AS IRON, CHROMIUM, NICKEL, TIN, ZINC, ALUMINUM, COPPER AND THEIR ALLOYS AGAINST ATMOSPHERIC CORROSION EXCOR KORROSIONSFORSCHUNG GMBH (DE) 2004-06-22 US disclosed
WO-2003012170-A1 VAPOR-PHASE CORROSION-INHIBITORS AND METHOD FOR PREPARING THE SAME EXCOR KORROSIONSFORSCHUNG GMBH (DE) 2003-02-13 WO disclosed
US-20030031583-A1 Vapor-phase corrosion inhibitors and method of preparing same EXCOR KORROSIONSFORSCHUNG GMBH (DE) 2003-02-13 US disclosed
EP-1281790-A1 Volatile corrosion inhibitors and process for making them EXCOR Korrosionsforschung GmbH (DE) 2003-02-05 EP disclosed