SCHEMBL8373364

SCHEMBL8373364

C=C(C)C(=O)NCC(=O)NC(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.40
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.37
FAAH O00519 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
PSMB5 P28074 5/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM1A O60341 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
GAA P10253 1/20 0.33
EPHX1 P07099 1/20 0.32

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
SCHEMBL4103020 0.81 TGFBR1 (0.38) TGFBR1PSMB5
SCHEMBL12643180 0.81 MEN1 (0.43) TGFBR1TSHRMEN1FAAHMAPK1
SCHEMBL10076774 0.79 MAPK1 (0.42) TSHRMEN1FAAHMAPK1KMT2A
SCHEMBL8376895 0.78 CYP2D6 (0.43) TGFBR1TSHRMEN1KMT2AALDH1A1
SCHEMBL7542542 0.78 TGFBR1 (0.36) TGFBR1
SCHEMBL1737637 0.77 TGFBR1 (0.34) TGFBR1MEN1KMT2ARXFP1ALDH1A1
SCHEMBL25968074 0.77 TGFBR1 (0.35) TGFBR1ALDH1A1
SCHEMBL8376801 0.77 TGFBR1 (0.35) TGFBR1ALDH1A1
SCHEMBL12333030 0.75 MAPK1 (0.54) MEN1FAAHMAPK1KMT2AALDH1A1
SCHEMBL27050 0.75

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