SCHEMBL27680447

SCHEMBL27680447

C=CC(=O)NC(C)C.C=CC(=O)NCCC.C=CN1CCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
USP2 O75604 1/20 0.37
KMT2A Q03164 2/20 0.33
LMNA P02545 3/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL7514336 0.89 TSHR (0.55) TSHRKMT2ALMNACA12CA1
SCHEMBL28468174 0.83 TSHR (0.51) TSHRKMT2AALDH1A1SMN1; SMN2TGM2
SCHEMBL19656088 0.80 TSHR (0.67) TSHRZDHHC20ZDHHC2KMT2ALMNA
SCHEMBL27886955 0.77 TSHR (0.50) TSHRKMT2ALMNACA12CA1
SCHEMBL28477356 0.77 ALDH1A1 (0.33) TSHRZDHHC20ZDHHC2USP2KMT2A
SCHEMBL87329 0.77 RAD52 (0.41) TSHRZDHHC20ZDHHC2KMT2AALDH1A1
SCHEMBL9321561 0.77 ZDHHC20 (0.42) ZDHHC20ZDHHC2KMT2ALMNAALDH1A1
SCHEMBL9126544 0.77 TSHR (0.35) TSHRKMT2ALMNACA12CA1
SCHEMBL29017631 0.76 KMT2A (0.35) TSHRKMT2ALMNAALDH1A1TGM2
Urea SCHEMBL27513933 0.76 TSHR (0.46) TSHRKMT2ALMNACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101053681-B Temperature sensitive MPC-b-NIPAM biblock star type polymer for vessel embolism material and preparation method and application UNIV TIANJIN 2010-05-19 CN disclosed
CN-101307123-A Temperature-induced gelatinizing-in-situ triblock copolymer, preparation method and applications UNIV TIANJIN (CN) 2008-11-19 CN disclosed
CN-101053681-A Temperature sensitive MPC-b-NIPAM biblock star type polymer for vessel embolism material and preparation method and application UNIV TIANJIN (CN) 2007-10-17 CN disclosed