SCHEMBL2594007

SCHEMBL2594007

N[C@@H]([CH]c1ccccc1)C=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CYP2A6 P11509 1/20 0.46
TRPA1 O75762 1/20 0.39
LMNA P02545 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR2A P28223 3/20 0.36
TSHR P16473 2/20 0.35
DPP4 P27487 2/20 0.35
MAOB P27338 2/20 0.35
F2 P00734 1/20 0.35
CYP19A1 P11511 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL21853699 0.77 ALDH1A1 (0.46) ALDH1A1CYP2A6TRPA1LMNAALOX5
SCHEMBL8007285 0.74 HTR2A (0.41) ALDH1A1CYP2A6LMNAHTR2ATSHR
SCHEMBL28007824 0.70 ALDH1A1 (0.43) ALDH1A1LMNAHTR2ATSHR
SCHEMBL28007846 0.70 ALDH1A1 (0.43) ALDH1A1LMNAHTR2ATSHR
SCHEMBL6048471 0.70 ALDH1A1 (0.43) ALDH1A1CYP2A6LMNAHTR2ATSHR
SCHEMBL7572963 0.70 HTR2A (0.48) ALDH1A1CYP2A6LMNAHTR2AMAOA
SCHEMBL28772606 0.68 DPP4 (0.48) LMNAHTR2ADPP4F2
SCHEMBL20915029 0.68 DPP4 (0.48) LMNAHTR2ADPP4F2
SCHEMBL3511627 0.68 DPP4 (0.48) LMNAHTR2ADPP4F2
Benzaldehyde SCHEMBL1945023 0.66 ALDH1A1 (0.88) ALDH1A1CYP2A6TRPA1LMNAALOX5

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
EP-2568996-A2 INNOVATIVE DISCOVERY OF THERAPEUTIC, DIAGNOSTIC, AND ANTIBODY COMPOSITIONS RELATED TO PROTEIN FRAGMENTS OF PHENYLALANYL-BETA-TRNA SYNTHETASES aTyr Pharma, Inc. (US) 2013-03-20 EP claimed
WO-2011143482-A2 INNOVATIVE DISCOVERY OF THERAPEUTIC, DIAGNOSTIC, AND ANTIBODY COMPOSITIONS RELATED TO PROTEIN FRAGMENTS OF PHENYLALANYL-BETA-TRNA SYNTHETASES ATYR PHARMA, INC. (US) 2011-11-17 WO claimed
US-10220080-B2 Innovative discovery of therapeutic, diagnostic, and antibody compositions related to protein fragments of phenylalanyl-beta-tRNA synthetases aTyr Pharam, Inc. (US) 2019-03-05 US disclosed
US-20180008683-A1 INNOVATIVE DISCOVERY OF THERAPEUTIC, DIAGNOSTIC, AND ANTIBODY COMPOSITIONS RELATED TO PROTEIN FRAGMENTS OF PHENYLALANYL-BETA-TRNA SYNTHETASES ATYR PHARMA, INC. 2018-01-11 US disclosed
EP-2568996-B1 THERAPEUTIC, DIAGNOSTIC, AND ANTIBODY COMPOSITIONS RELATED TO PROTEIN FRAGMENTS OF PHENYLALANYL-BETA-TRNA SYNTHETASES ATYR PHARMA INC (US) 2017-10-04 EP disclosed
US-9687533-B2 Innovative discovery of therapeutic, diagnostic, and antibody compositions related to protein fragments of phenylalanyl-beta-tRNA synthetases ATYR PHARMA, INC. (US) 2017-06-27 US disclosed
US-20150231214-A1 INNOVATIVE DISCOVERY OF THERAPEUTIC, DIAGNOSTIC, AND ANTIBODY COMPOSITIONS RELATED TO PROTEIN FRAGMENTS OF PHENYLALANYL-BETA-TRNA SYNTHETASES PANGU BIOPHARMA LIMITED (CN) 2015-08-20 US disclosed
US-8945541-B2 Innovative discovery of therapeutic, diagnostic, and antibody compositions related to protein fragments of phenylalanyl-beta-tRNA synthetases ATYR PHARMA, INC. (US) 2015-02-03 US disclosed
US-20130202575-A1 INNOVATIVE DISCOVERY OF THERAPEUTIC, DIAGNOSTIC, AND ANTIBODY COMPOSITIONS RELATED TO PROTEIN FRAGMENTS OF PHENYLALANYL-BETA-TRNA SYNTHETASES PANGU BIOPHARMA LIMITED (HK) 2013-08-08 US disclosed
EP-2568996-A2 INNOVATIVE DISCOVERY OF THERAPEUTIC, DIAGNOSTIC, AND ANTIBODY COMPOSITIONS RELATED TO PROTEIN FRAGMENTS OF PHENYLALANYL-BETA-TRNA SYNTHETASES aTyr Pharma, Inc. (US) 2013-03-20 EP disclosed
WO-2011143482-A2 INNOVATIVE DISCOVERY OF THERAPEUTIC, DIAGNOSTIC, AND ANTIBODY COMPOSITIONS RELATED TO PROTEIN FRAGMENTS OF PHENYLALANYL-BETA-TRNA SYNTHETASES ATYR PHARMA, INC. (US) 2011-11-17 WO disclosed