SCHEMBL247746

SCHEMBL247746

N#Cc1ccc(C(=O)OO)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.57
CA1 P00915 2/20 0.57
PARP15 Q460N3 1/20 0.56
PARP10 Q53GL7 1/20 0.56
PARP2 Q9UGN5 1/20 0.56
GSK3B P49841 2/20 0.52
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 2/20 0.45
NSD2 O96028 1/20 0.45
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
CA6 P23280 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 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
SCHEMBL7649941 0.84 CA2 (0.59) CA2CA1PARP15PARP10PARP2
SCHEMBL23037551 0.81 CA2 (0.55) CA2CA1PARP15PARP10PARP2
SCHEMBL14223454 0.81 CA2 (0.55) CA2CA1PARP15PARP10PARP2
SCHEMBL7393 0.81 CA1 (0.57) CA2CA1GSK3BALDH1A1MAPT
SCHEMBL6965607 0.81 CA2 (0.55) CA2CA1PARP15PARP10PARP2
SCHEMBL1286650 0.81 CES2 (0.48) CA2CA1PARP15PARP10ALDH1A1
SCHEMBL10973501 0.79 ADRB2 (0.55) CA2CA1PARP15PARP10PARP2
SCHEMBL8496209 0.79 ALDH1A1 (0.58) CA2CA1PARP15PARP10PARP2
Charcoal, Activated SCHEMBL31430427 0.79 CA1 (0.55) CA2CA1PARP15PARP10PARP2
SCHEMBL29038955 0.79 ALDH1A1 (0.58) CA2CA1PARP15PARP10PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4917815-A STABILIZED WITH THE CORRESPONDING CARBOXYLIC ACID, PERGLUTARIC ACID AND HYDROGEN PEROXIDE STERLING DRUG INC. (US) 1990-04-17 US claimed
US-4221660-A AROMATIC PERCARBOXYLIC ACID, FOR WATER SYSTEMS STERLING DRUG INC. (US) 1980-09-09 US claimed
EP-2588502-B1 POLYMERIZATION PROCESS WITH IN-SITU INITIATOR FORMATION NOURYON CHEMICALS INT BV (NL) 2021-03-31 EP disclosed
EP-2606175-B1 METHOD FOR REMOVING HEXENURONIC ACIDS ÅBO AKADEMI UNIVERSITY (FI) 2016-04-20 EP disclosed
US-8987391-B2 Polymerization process with in-situ initiator formation AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2015-03-24 US disclosed
US-20130211019-A1 Polymerization Process with In-Situ Initiator Formation AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2013-08-15 US disclosed
EP-2606175-A1 METHOD FOR REMOVING HEXENURONIC ACIDS Åbo Akademi University (FI) 2013-06-26 EP disclosed
EP-2588502-A1 POLYMERIZATION PROCESS WITH IN-SITU INITIATOR FORMATION Akzo Nobel Chemicals International B.V. (NL) 2013-05-08 EP disclosed
WO-2012022840-A1 METHOD FOR REMOVING HEXENURONIC ACIDS ÅBO AKADEMI UNIVERSITY (FI) 2012-02-23 WO disclosed
WO-2012000916-A1 POLYMERIZATION PROCESS WITH IN-SITU INITIATOR FORMATION AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2012-01-05 WO disclosed
US-4259383-A PEROXY COMPOUNDS STERLING DRUG INC. (US) 1981-03-31 US disclosed
US-4221660-A AROMATIC PERCARBOXYLIC ACID, FOR WATER SYSTEMS STERLING DRUG INC. (US) 1980-09-09 US disclosed
US-4008175-A Organic acid anhydride-peroxydicarbonate composition PPG INDUSTRIES, INC. (US) 1977-02-15 US disclosed
US-3978032-A ALKALINE BUFFER, ANHYDRIDE, PERACID, ALKYL HALOFORMATE PPG INDUSTRIES, INC. (US) 1976-08-31 US disclosed