SCHEMBL8375417

SCHEMBL8375417

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 3/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PSMB5 P28074 1/20 0.36
HDAC2 Q92769 1/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
TGM2 P21980 2/20 0.33
KDM1A O60341 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
POLB P06746 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
SCHEMBL11037418 0.84 TSHR (0.46) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL2608211 0.81 ZDHHC20 (0.46) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL18843229 0.80 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL12314775 0.78 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL18843228 0.78 ALDH1A1 (0.37) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL13196125 0.77 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL8375422 0.77 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL2608212 0.77 ZDHHC20 (0.54) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL12556801 0.76 MAPT (0.38) ALDH1A1TSHRHDAC2GAASMN1; SMN2
SCHEMBL2608215 0.75 ZDHHC20 (0.57) ALDH1A1TSHRMAPK1TDP1ZDHHC20

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