SCHEMBL2591317

SCHEMBL2591317

N[C](C=O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.50
CES2 O00748 1/20 0.50
AKR1B1 P15121 1/20 0.50
HIF1A Q16665 2/20 0.46
PAM P19021 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTBP2 P56545 1/20 0.41
EPHX2 P34913 1/20 0.41
PLA2G10 O15496 1/20 0.41

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
Formic Acid SCHEMBL27437981 0.76 CES1 (0.54) CES1CES2AKR1B1HIF1AKMT2A
SCHEMBL25169 0.74 CES1 (0.58) CES1CES2AKR1B1PAMKMT2A
SCHEMBL4712969 0.74 AKR1B1 (0.52) CES1CES2AKR1B1HIF1APAM
SCHEMBL25676 0.73 CES1 (0.64) CES1CES2AKR1B1HIF1AKMT2A
Bicarbonate SCHEMBL10938525 0.73 CES1 (0.56) CES1CES2AKR1B1PAMKMT2A
SCHEMBL3485127 0.73 CES1 (0.50) CES1CES2AKR1B1PAMKMT2A
SCHEMBL16653799 0.73 CES1 (0.50) CES1CES2AKR1B1PAMKMT2A
SCHEMBL28067062 0.72 CES1 (0.45) CES1CES2AKR1B1PAMKMT2A
SCHEMBL28085046 0.72 CES1 (0.55) CES1CES2AKR1B1HIF1AKMT2A
SCHEMBL5184996 0.72 CES1 (0.55) CES1CES2AKR1B1HIF1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105820252-A Innovative discovery of therapeutic, diagnostic, and antibody compositions related to protein fragments of phenylalanyl-alpha-trna synthetases ATYR 医药公司 2016-08-03 CN claimed
CN-103096912-A Innovative discovery of therapeutic, diagnostic, and antibody compositions related to protein fragments of phenylalanyl-alpha-tRNA synthetases ATYR PHARMA INC 2013-05-08 CN claimed
EP-2566495-A2 INNOVATIVE DISCOVERY OF THERAPEUTIC, DIAGNOSTIC, AND ANTIBODY COMPOSITIONS RELATED TO PROTEIN FRAGMENTS OF PHENYLALANYL-ALPHA-TRNA SYNTHETASES aTyr Pharma, Inc. (US) 2013-03-13 EP claimed
WO-2011140132-A2 INNOVATIVE DISCOVERY OF THERAPEUTIC, DIAGNOSTIC, AND ANTIBODY COMPOSITIONS RELATED TO PROTEIN FRAGMENTS OF PHENYLALANYL-ALPHA-TRNA SYNTHETASES ATYR PHARMA, INC. (US) 2011-11-10 WO claimed
US-10179906-B2 Innovative discovery of therapeutic, diagnostic, and antibody compositions related to protein fragments of phenylalanyl-alpha-tRNA synthetases ATYR PHARMA, INC. (US) 2019-01-15 US disclosed
US-20170247678-A1 INNOVATIVE DISCOVERY OF THERAPEUTIC, DIAGNOSTIC, AND ANTIBODY COMPOSITIONS RELATED TO PROTEIN FRAGMENTS OF PHENYLALANYL-ALPHA-tRNA SYNTHETASES ATYR PHARMA, INC. 2017-08-31 US disclosed
US-9593323-B2 Innovative discovery of therapeutic, diagnostic, and antibody compositions related to protein fragments of phenylalanyl-alpha-tRNA synthetases ATYR PHARMA, INC. (US) 2017-03-14 US disclosed
EP-2566495-B1 INNOVATIVE DISCOVERY OF THERAPEUTIC, DIAGNOSTIC, AND ANTIBODY COMPOSITIONS RELATED TO PROTEIN FRAGMENTS OF PHENYLALANYL-ALPHA-TRNA SYNTHETASES ATYR PHARMA INC (US) 2017-03-01 EP disclosed
CN-105820252-A Innovative discovery of therapeutic, diagnostic, and antibody compositions related to protein fragments of phenylalanyl-alpha-trna synthetases ATYR 医药公司 2016-08-03 CN disclosed
US-20150361410-A1 INNOVATIVE DISCOVERY OF THERAPEUTIC, DIAGNOSTIC, AND ANTIBODY COMPOSITIONS RELATED TO PROTEIN FRAGMENTS OF PHENYLALANYL-ALPHA-TRNA SYNTHETASES PANGU BIOPHARMA LIMITED (HK) 2015-12-17 US disclosed
US-9034321-B2 Innovative discovery of therapeutic, diagnostic, and antibody compositions related to protein fragments of phenylalanyl-alpha-tRNA synthetases ATYR PHARMA, INC. (US) 2015-05-19 US disclosed
US-20130195832-A1 INNOVATIVE DISCOVERY OF THERAPEUTIC, DIAGNOSTIC, AND ANTIBODY COMPOSITIONS RELATED TO PROTEIN FRAGMENTS OF PHENYLALANYL-ALPHA-TRNA SYNTHETASES PANGU BIOPHARMA LIMITED (CN) 2013-08-01 US disclosed
CN-103096912-A Innovative discovery of therapeutic, diagnostic, and antibody compositions related to protein fragments of phenylalanyl-alpha-tRNA synthetases ATYR PHARMA INC 2013-05-08 CN disclosed
EP-2566495-A2 INNOVATIVE DISCOVERY OF THERAPEUTIC, DIAGNOSTIC, AND ANTIBODY COMPOSITIONS RELATED TO PROTEIN FRAGMENTS OF PHENYLALANYL-ALPHA-TRNA SYNTHETASES aTyr Pharma, Inc. (US) 2013-03-13 EP disclosed
WO-2011140132-A2 INNOVATIVE DISCOVERY OF THERAPEUTIC, DIAGNOSTIC, AND ANTIBODY COMPOSITIONS RELATED TO PROTEIN FRAGMENTS OF PHENYLALANYL-ALPHA-TRNA SYNTHETASES ATYR PHARMA, INC. (US) 2011-11-10 WO disclosed