SCHEMBL3084347

SCHEMBL3084347

CCC(=O)OCc1ccccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
HSD17B10 Q99714 5/20 0.46
KDM4E B2RXH2 5/20 0.43
HPGD P15428 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.40
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CFTR P13569 1/20 0.38
GAA P10253 1/20 0.38
FDPS P14324 1/20 0.38
RCE1 Q9Y256 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 1/20 0.37
WRN Q14191 1/20 0.37
HIF1A Q16665 1/20 0.37
NPC1 O15118 1/20 0.37

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
Hydrochloric Acid SCHEMBL27812460 0.98 ALDH1A1 (0.45) ALDH1A1HSD17B10KDM4EHPGDNPSR1
SCHEMBL17938470 0.87 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4EHPGDNPSR1
SCHEMBL8694789 0.86 CYP4F2 (0.44) ALDH1A1HSD17B10KDM4EPOLBCYP4F2
SCHEMBL18813518 0.84 ALDH1A1 (0.40) ALDH1A1HSD17B10KDM4EHPGDPOLB
SCHEMBL2623832 0.83 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4EHPGDNPSR1
SCHEMBL27819112 0.82 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4EPOLBCYP4F2
SCHEMBL28755072 0.82 KDM4E (0.47) ALDH1A1HSD17B10KDM4EHPGDNPSR1
SCHEMBL4577937 0.81 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EHPGDNPSR1
SCHEMBL10557874 0.81 ALDH1A1 (0.55) ALDH1A1HSD17B10KDM4EHPGDPOLB
SCHEMBL27991318 0.81 GLA (0.46) ALDH1A1HSD17B10HPGDMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3424941-A1 PRODUCTION METHOD FOR NONCYCLIC PEPTIDE-NUCLEIC ACID COMPLEX HAVING, AT N-TERMINAL, AMINO ACID WITH THIOL GROUP NEAR AMINO GROUP, LIBRARY THEREOF, AND CYCLIC PEPTIDE-NUCLEIC ACID COMPLEX LIBRARY DERIVED FROM SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2019-01-09 EP disclosed
US-7795166-B2 Functional group-selective hydrogenation catalyst and functional group-selective hydrogenation method N.E. CHEMCAT CORPORATION (JP) 2010-09-14 US disclosed
CN-101528680-A New phenylsulfamoyl benzamide derivatives as bradykinin antagonists RICHTER GEDEON NYRT (HU) 2009-09-09 CN disclosed
CN-100376242-C 2-aryl-propionic acid and medicine composition containing same DOMPAY CO LTD (IT) 2008-03-26 CN disclosed
US-20070155617-A1 FUNCTIONAL GROUP-SELECTIVE HYDROGENATION CATALYST AND FUNCTIONAL GROUP-SELECTIVE HYDROGENATION METHOD N. E. CHEMCAT CORPORATION (JP) 2007-07-05 US disclosed
CN-1612729-A 2-Aryl-propionic acids and pharmaceutical compositions containing them DOMPAY CO LTD (IT) 2005-05-04 CN disclosed