SCHEMBL6801767

SCHEMBL6801767

CC1=C(C)C(=O)C(SCCC(=O)O)=C(C)C1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 6/20 0.65
CDC25A P30304 4/20 0.65
MAP2K7 O14733 2/20 0.65
S100A4 P26447 3/20 0.42
APEX1 P27695 1/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PHGDH O43175 1/20 0.39
ALDH1A1 P00352 4/20 0.38
PKM P14618 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
PRNP P04156 2/20 0.37
MAPK10 P53779 2/20 0.37

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
SCHEMBL29527717 0.79 CDC25B (1.00) CDC25BCDC25AMAP2K7S100A4TSHR
SCHEMBL7081685 0.79 CDC25B (1.00) CDC25BCDC25AMAP2K7S100A4TSHR
SCHEMBL16884401 0.71 CDC25B (0.46) CDC25BCDC25AMAP2K7S100A4APEX1
SCHEMBL12831238 0.67 CDC25B (0.43) CDC25BCDC25AMAP2K7APEX1TSHR
SCHEMBL7322408 0.67 NPSR1 (0.42) CDC25BCDC25AMAP2K7ALDH1A1PKM
SCHEMBL31028515 0.66 NPSR1 (0.45) CDC25BCDC25AMAP2K7LMNAALDH1A1
SCHEMBL9334773 0.64 GAA (0.45) CDC25BCDC25AMAP2K7APEX1TSHR
SCHEMBL16067271 0.64 ALOX15 (0.41) CDC25BCDC25ATSHRHSD17B10LMNA
SCHEMBL909499 0.64 HPGD (0.60) LMNAKMT2AALDH1A1GAA
SCHEMBL17722534 0.63 CA12 (0.60) CDC25BCDC25AMAP2K7APEX1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 US disclosed
US-6750344-B1 MONOCYCLIC AMINE SCAFFOLD BEARING AT LEAST TWO SITES OF DIVERSITY, CYCLIZED TO FORM BICYCLIC AMINE SCAFFOLDS; 7-AMINO-PYRROLO(1,2-A)PYRAZIN-4-ONE COMPOUNDS ISIS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-6316626-B1 Amine compounds and combinatorial libraries comprising same ISIS PHARMACEUTICALS, INC. 2001-11-13 US disclosed
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed