SCHEMBL9636364

SCHEMBL9636364

CC(=O)NC(CCSSCC[C@H](NC(C)=O)C(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 1/20 0.57
THRB P10828 1/20 0.57
ALOX15 P16050 1/20 0.57
NFKB1 P19838 1/20 0.57
PTGS2 P35354 1/20 0.57
THPO P40225 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
ALDH1A1 P00352 3/20 0.55
GNPAT O15228 2/20 0.46
LMNA P02545 1/20 0.42
FOLH1 Q04609 3/20 0.42
RIMKLA Q8IXN7 1/20 0.42
NAALAD2 Q9Y3Q0 1/20 0.42
HDAC2 Q92769 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL9636369 1.00 MAPT (0.57) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL468869 0.89 NOS2 (0.49) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL468871 0.89 NOS2 (0.49) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL22769504 0.89 NOS2 (0.49) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL109681 0.88 LMNA (0.55) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL1332039 0.88 LMNA (0.55) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL109680 0.88 LMNA (0.55) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL109682 0.88 LMNA (0.55) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL2639626 0.86 LMNA (0.54) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL6899172 0.86 MAPT (0.52) MAPTSMN1; SMN2KDM4ETHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0119613-B1 FLUOROMETRIC ASSAY OF TOTAL IGE LEVEL AND REAGENTS THEREFOR BioWhittaker, Inc. (US) 1992-07-29 EP disclosed
EP-0124103-B1 FLUOROMETRIC ASSAY OF CHYMOPAPAIN AND REAGENTS THEREFOR BioWhittaker, Inc. (US) 1992-07-01 EP disclosed
US-5084379-A Quantitative analysis of immunoglobulins BIOWHITTAKER, INC. (US) 1992-01-28 US disclosed
EP-0106324-B1 FLUOROMETRIC ASSAY OF ALLERGIC REACTIONS AND REAGENTS THEREFOR MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-04-17 EP disclosed
US-4849337-A Assaying allergen specific IgE levels with fluorogenic enzyme labeled antibody MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-07-18 US disclosed
US-4844966-A DIAGNOSING ALLERGIES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-07-04 US disclosed
US-4716120-A PURIFICATION BY ULTRAFILTRATION AND ABSORPTION OF IMPURITIES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-12-29 US disclosed
US-4652519-A Bifunctional chelating agents and process for their production YEDA RESEARCH AND DEVELOPMENT COMPANY LIMITED (IL) 1987-03-24 US disclosed
EP-0124103-A2 Fluorometric assay of chymopapain and reagents therefor BioWhittaker, Inc. (US) 1984-11-07 EP disclosed
EP-0119613-A2 Fluorometric assay of total IgE level and reagents therefor BioWhittaker, Inc. (US) 1984-09-26 EP disclosed
EP-0106324-A2 Fluorometric assay of allergic reactions and reagents therefor MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-04-25 EP disclosed