SCHEMBL7312947

SCHEMBL7312947

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.41
CTSS P25774 3/20 0.41
F2 P00734 2/20 0.40
F10 P00742 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
F7 P08709 2/20 0.40
F3 P13726 2/20 0.40
PRSS3 P35030 2/20 0.40
CTSB P07858 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.40
CTSK P43235 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL7316175 1.00 CTSL (0.41) CTSLCTSSF2F10PRSS1
SCHEMBL11283628 0.94 CTSL (0.41) CTSLCTSSF2F10PRSS1
SCHEMBL7348589 0.91 CTSK (0.41) CTSLCTSSF2F10PRSS1
Hydroxyamine SCHEMBL7320378 0.88 F2 (0.45) CTSLCTSSF2F10PRSS1
Hydroxyamine SCHEMBL7320373 0.88 F2 (0.45) CTSLCTSSF2F10PRSS1
SCHEMBL10005610 0.88 CTSL (0.46) CTSLCTSSF2F10PRSS1
SCHEMBL10039872 0.88 CTSL (0.46) CTSLCTSSF2F10PRSS1
SCHEMBL2116716 0.88 CTSL (0.46) CTSLCTSSF2F10PRSS1
SCHEMBL7311447 0.88 CTSL (0.46) CTSLCTSSF2F10PRSS1
SCHEMBL7309373 0.88 CTSL (0.46) CTSLCTSSF2F10PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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