SCHEMBL10831718

SCHEMBL10831718

CC(=O)N(C)[C@H]1C(OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1OCC(=O)NC(C)C(=O)NC(CCC(=O)O)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 1/20 0.48
▸ APC P25054 1/20 0.39
▸ OPRM1 P35372 8/20 0.38
▸ OPRD1 P41143 6/20 0.38
▸ OPRK1 P41145 6/20 0.38
▸ ANPEP P15144 2/20 0.37
▸ LGALS8 O00214 1/20 0.36
▸ SYNJ2 O15056 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALPI P09923 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALPG P10696 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ GALK1 P51570 1/20 0.36
▸ CASP7 P55210 1/20 0.36

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
SCHEMBL10382158 1.00 NOD2 (0.48) NOD2APCOPRM1OPRD1OPRK1
SCHEMBL10832327 0.88 NOD2 (0.57) NOD2OPRM1OPRD1ANPEPESR1
SCHEMBL10832236 0.86 NOD2 (0.50) NOD2ANPEPESR1PGRHTR1A
SCHEMBL11113553 0.80 NOD2 (0.49) NOD2OPRM1OPRD1OPRK1ANPEP
SCHEMBL10831494 0.79 NOD2 (0.44) NOD2OPRM1OPRD1OPRK1ANPEP
SCHEMBL10832555 0.79 NOD2 (0.42) NOD2ANPEPLGALS8ESR1PGR
Water SCHEMBL10831450 0.79 NOD2 (0.72) NOD2OPRM1OPRD1OPRK1ANPEP
SCHEMBL10383211 0.78 NOD2 (0.62) NOD2OPRM1OPRD1OPRK1ANPEP
SCHEMBL10832586 0.77 NOD2 (0.60) NOD2ANPEPESR1PGRHTR1A
SCHEMBL11116037 0.77 ESR1 (0.52) NOD2ANPEPESR1PGRHTR1A

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-4574058-A Antigen derivatives and processes for their preparation CIBA-GEIGY CORPORATION (US) 1986-03-04 — — US disclosed
US-4446128-A Antigen derivatives and processes for their preparation CIBA-GEIGY CORPORATION (US) 1984-05-01 — — US disclosed
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