SCHEMBL11113553

SCHEMBL11113553

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 1/20 0.49
▸ ANPEP P15144 2/20 0.46
▸ MAG P20916 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ AR P10275 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ SELL P14151 3/20 0.38
▸ SELP P16109 3/20 0.38
▸ SELE P16581 3/20 0.38
▸ SYNJ2 O15056 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ABL1 P00519 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
SCHEMBL10832327 0.92 NOD2 (0.57) NOD2ANPEPMAGL3MBTL1ESR1
SCHEMBL10832236 0.86 NOD2 (0.50) NOD2ANPEPESR1PGRHTR1A
Water SCHEMBL10831450 0.83 NOD2 (0.72) NOD2ANPEPMAGL3MBTL1ESR1
SCHEMBL11116037 0.81 ESR1 (0.52) NOD2ANPEPMAGESR1PGR
SCHEMBL10831494 0.81 NOD2 (0.44) NOD2ANPEPOPRM1OPRD1OPRK1
SCHEMBL10382158 0.80 NOD2 (0.48) NOD2ANPEPESR1PGRHTR1A
SCHEMBL10831718 0.80 NOD2 (0.48) NOD2ANPEPESR1PGRHTR1A
SCHEMBL17434025 0.79 ESR1 (0.49) NOD2ANPEPMAGESR1PGR
SCHEMBL19177502 0.79 ESR1 (0.49) NOD2ANPEPMAGESR1PGR
SCHEMBL17446790 0.79 ESR1 (0.49) NOD2ANPEPMAGESR1PGR

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-4446128-A Antigen derivatives and processes for their preparation CIBA-GEIGY CORPORATION (US) 1984-05-01 — — US disclosed
US-4397844-A Antigen derivatives and processes for their preparation CIBA-GEIGY CORPORATION (US) 1983-08-09 — — US disclosed
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