SCHEMBL9813732

SCHEMBL9813732

CC(=O)N[C@H](C(=O)O)C(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.47
F10 P00742 4/20 0.47
PRSS1 P07477 4/20 0.47
F7 P08709 4/20 0.47
PRSS2 P07478 2/20 0.47
F3 P13726 2/20 0.47
PRSS3 P35030 2/20 0.47
BRD4 O60885 2/20 0.46
ACACB O00763 3/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
SMPD1 P17405 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 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
SCHEMBL10784225 1.00 F2 (0.47) F2F10PRSS1F7PRSS2
SCHEMBL10600559 1.00 F2 (0.47) F2F10PRSS1F7PRSS2
SCHEMBL7271123 0.88 F2 (0.48) F2F10PRSS1F7PRSS2
SCHEMBL10346671 0.87 NPSR1 (0.53) F2F10PRSS1F7PRSS2
SCHEMBL10783267 0.87 NPSR1 (0.53) F2F10PRSS1F7PRSS2
SCHEMBL10005610 0.87 CTSL (0.46) F2F10PRSS1F7PRSS2
SCHEMBL2116716 0.87 CTSL (0.46) F2F10PRSS1F7PRSS2
SCHEMBL7311447 0.87 CTSL (0.46) F2F10PRSS1F7PRSS2
SCHEMBL10778740 0.87 F2 (0.44) F2F10PRSS1F7PRSS2
SCHEMBL10039872 0.87 CTSL (0.46) F2F10PRSS1F7PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0201039-B1 L-AMINOACYLASES BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-07-31 EP disclosed
EP-0174375-B1 PROCESS FOR PREPARING N-ACYLPHENYLALANINES MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-02 EP disclosed
EP-0141613-B1 A PROCESS FOR PRODUCING AN OPTICALLY ACTIVE 3-(3,4-DIHYDROXPHENYL) SERINE AND A PROTECED DERIVATIVE THEREOF ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1989-02-01 EP disclosed
US-4745067-A HYDROLYTIC ENZYME WHICH ACTS ON N-ACYL-GROUPS MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1988-05-17 US disclosed
US-4699879-A ENZYMIC DEACYLATION ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1987-10-13 US disclosed
US-4675439-A CATALYTIC REDUCTION OF N-ACYL-B-PHENYLSERINE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1987-06-23 US disclosed
EP-0201039-A2 L-aminoacylases BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-11-12 EP disclosed
EP-0174375-A1 PROCESS FOR PREPARING N-ACYLPHENYLALANINES MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-03-19 EP disclosed
EP-0141613-A2 A process for producing an optically active 3-(3,4-dihydroxphenyl) serine and a proteced derivative thereof ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1985-05-15 EP disclosed