SCHEMBL8375419

SCHEMBL8375419

C=C(C)C(=O)N[C@@H](CCSC)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.46
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.36
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RNPEP Q9H4A4 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6156710 0.85 TGFBR1 (0.61) TGFBR1LMNACA2CA1RNPEP
SCHEMBL6156715 0.85 TGFBR1 (0.61) TGFBR1LMNACA2CA1RNPEP
SCHEMBL1694616 0.82 CA12 (0.44) CA12CA9TSHRLMNACA2
SCHEMBL1694618 0.82 CA12 (0.44) CA12CA9TSHRLMNACA2
SCHEMBL11032203 0.82 CA12 (0.44) CA12CA9TSHRLMNACA2
SCHEMBL538340 0.80 TSHR (0.54) CA12CA9TSHRLMNACA2
SCHEMBL538339 0.80 TSHR (0.54) CA12CA9TSHRLMNACA2
SCHEMBL21585750 0.79 TGFBR1 (0.49) TGFBR1CA12CA9CA2CA1
SCHEMBL2969793 0.79 TGFBR1 (0.49) TGFBR1CA12CA9CA2CA1
SCHEMBL8374365 0.77 TGFBR1 (0.69) TGFBR1CA12CA9CA2CA1

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