SCHEMBL8379983

SCHEMBL8379983

C=CC(=O)N[C@@H](CS)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
PTGS2 P35354 1/20 0.35
THPO P40225 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
FGFR4 P22455 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL8379982 1.00 TSHR (0.43) TSHRALDH1A1MAPK1TDP1KDM4E
SCHEMBL3054458 0.82 KDM4E (0.55) TSHRALDH1A1MAPK1TDP1KDM4E
SCHEMBL4305909 0.82 KDM4E (0.55) TSHRALDH1A1MAPK1TDP1KDM4E
SCHEMBL8376938 0.82 TSHR (0.45) TSHRALDH1A1MAPK1TDP1CA12
SCHEMBL8376937 0.82 TSHR (0.45) TSHRALDH1A1MAPK1TDP1CA12
SCHEMBL490074 0.80 TSHR (0.43) TSHRALDH1A1MAPK1TDP1CA12
SCHEMBL30414359 0.80 TSHR (0.43) TSHRALDH1A1MAPK1TDP1CA12
SCHEMBL490075 0.80 TSHR (0.43) TSHRALDH1A1MAPK1TDP1CA12
SCHEMBL490611 0.77 TSHR (0.41) TSHRALDH1A1MAPK1TDP1ALOX15
SCHEMBL8373322 0.77 TSHR (0.50) TSHRALDH1A1MAPTCA12CA1

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-5883211-A Thermoreversible hydrogels comprising linear copolymers and their use in electrophoresis ACLARA BIOSCIENCES, INC. (US) 1999-03-16 US disclosed
WO-1997040078-A1 THERMOREVERSIBLE HYDROGELS COMPRISING NON-CROSSLINKED COPOLYMERS AND THEIR USE IN ELECTROPHORESIS SOANE BIOSCIENCES (US) 1997-10-30 WO disclosed