SCHEMBL463095

SCHEMBL463095

Cc1ccc(NCC(O)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
MAPT P10636 1/20 0.67
HTT P42858 2/20 0.62
ADRB2 P07550 4/20 0.60
KDM4E B2RXH2 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
FAAH O00519 1/20 0.55
AOC3 Q16853 3/20 0.52
CYP2D6 P10635 1/20 0.50
LMNA P02545 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
BCAT2 O15382 1/20 0.46

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
SCHEMBL18415609 1.00 ALDH1A1 (0.67) ALDH1A1MAPTHTTADRB2KDM4E
SCHEMBL28335675 0.93 MAPT (0.67) ALDH1A1MAPTHTTADRB2KDM4E
SCHEMBL432726 0.87 KDM4E (0.65) MAPTHTTADRB2KDM4EL3MBTL1
SCHEMBL20095130 0.87 KDM4E (0.65) MAPTHTTADRB2KDM4EL3MBTL1
SCHEMBL23004979 0.82 ADRB2 (0.60) ALDH1A1MAPTHTTADRB2KDM4E
SCHEMBL5786083 0.82 ADRB2 (0.60) ALDH1A1MAPTHTTADRB2KDM4E
SCHEMBL29033217 0.82 ADRB2 (0.60) ALDH1A1MAPTHTTADRB2KDM4E
SCHEMBL31450080 0.82 ADRB2 (0.60) ALDH1A1MAPTHTTADRB2KDM4E
SCHEMBL29033215 0.82 ADRB2 (0.60) ALDH1A1MAPTHTTADRB2KDM4E
Hydrochloric Acid SCHEMBL29206348 0.81 ADRB2 (0.59) ALDH1A1MAPTHTTADRB2KDM4E

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-3326715-B1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE CE PHARM CO LTD (CN) 2021-09-15 EP disclosed
EP-3326715-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2018-05-30 EP disclosed
US-8932980-B2 Ordered mesoporous titanosilicate and the process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-01-13 US disclosed
EP-2595921-A1 ORDERED MESOPOROUS TITANOSILICATE AND THE PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2013-05-29 EP disclosed
US-20130116453-A1 ORDERED MESOPOROUS TITANOSILICATE AND THE PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-05-09 US disclosed
WO-2012011124-A1 ORDERED MESOPOROUS TITANOSILICATE AND THE PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-01-26 WO disclosed
US-5652344-A 2-amino-5-nitrothiazole derived monoazo disperse dyes ALLIED INDUSTRIAL CORP., LTD. (TW) 1997-07-29 US disclosed