SCHEMBL14722425

SCHEMBL14722425

CCCCCCC(=O)Sc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.54
CES1 P23141 2/20 0.54
EPHX2 P34913 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GPR84 Q9NQS5 7/20 0.47
PPARG P37231 6/20 0.47
PPARD Q03181 6/20 0.47
PPARA Q07869 6/20 0.47
HDAC11 Q96DB2 5/20 0.47
TSHR P16473 4/20 0.47
ALDH1A1 P00352 2/20 0.47
TLR2 O60603 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
FABP4 P15090 2/20 0.47
PTPN1 P18031 2/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL29060487 1.00 CES2 (0.54) CES2CES1EPHX2MEN1KMT2A
SCHEMBL10504820 0.92 CES2 (0.52) CES2CES1EPHX2MEN1KMT2A
SCHEMBL8923210 0.91 SOAT2 (0.59) EPHX2KMT2APPARGPPARDPPARA
SCHEMBL14723177 0.90 L3MBTL1 (0.50) CES2CES1MEN1KMT2AHDAC11
SCHEMBL21249722 0.88 ALDH1A1 (0.50) CES2CES1MEN1KMT2AHDAC11
SCHEMBL10520485 0.86 CES2 (0.47) CES2CES1ALDH1A1FFAR1
SCHEMBL21357337 0.84 TP53 (0.53) MEN1KMT2ATSHRALDH1A1
SCHEMBL28438844 0.84 CES2 (0.58) CES2CES1EPHX2MEN1KMT2A
SCHEMBL28474571 0.84 HPGD (0.51) CES2CES1ALDH1A1TDP1HSD17B10
SCHEMBL28477567 0.84 HPGD (0.51) CES2CES1ALDH1A1TDP1HSD17B10

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
CN-103889999-B Ion labeling for oligoribonucleotide synthesis 皇家学习促进学会/麦吉尔大学 2021-06-01 CN disclosed
EP-2748176-A1 IONIC TAGS FOR SYNTHESIS OF OLIGORIBONUCLEOTIDES The Royal Institution for the Advancement of Learning / McGill University (CA) 2014-07-02 EP disclosed
US-20130064843-A1 Identification of conserved peptide blocks in homologous polypeptides DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-03-14 US disclosed
WO-2013026142-A1 IONIC TAGS FOR SYNTHESIS OF OLIGORIBONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2013-02-28 WO disclosed