SCHEMBL7348589

SCHEMBL7348589

CC(C)C[C@H](N)C(O)(c1ccccc1)c1ccccc1.O=C(N[C@@H](C(=O)O)C(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
PRSS3 P35030 1/20 0.40
CTSS P25774 3/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
LNPEP Q9UIQ6 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7312947 0.91 CTSL (0.41) CTSKF2F10PRSS1PRSS2
SCHEMBL7316175 0.91 CTSL (0.41) CTSKF2F10PRSS1PRSS2
SCHEMBL11283628 0.91 CTSL (0.41) CTSKF2F10PRSS1PRSS2
Hydroxyamine SCHEMBL7320378 0.85 F2 (0.45) CTSKF2F10PRSS1PRSS2
Hydroxyamine SCHEMBL7320373 0.85 F2 (0.45) CTSKF2F10PRSS1PRSS2
SCHEMBL10005610 0.85 CTSL (0.46) CTSKF2F10PRSS1PRSS2
SCHEMBL10039872 0.85 CTSL (0.46) CTSKF2F10PRSS1PRSS2
SCHEMBL2116716 0.85 CTSL (0.46) CTSKF2F10PRSS1PRSS2
SCHEMBL7311447 0.85 CTSL (0.46) CTSKF2F10PRSS1PRSS2
SCHEMBL7309373 0.85 CTSL (0.46) CTSKF2F10PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4319040-A Process for the production of optically active threo-3-(3,4-dihydroxyphenyl)serine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-03-09 US disclosed
EP-0024210-A1 Process for the production of optically active threo-3-(3,4-dihydroxyphenyl) serine, and product thus produced SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-02-25 EP disclosed