SCHEMBL7425175

SCHEMBL7425175

CC(C)OCOCCCOCCO

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 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
SCHEMBL11355081 0.91
SCHEMBL7416338 0.86 TSHR (0.36) TSHRMEN1KMT2ATHRBHTT
SCHEMBL25841034 0.86 TSHR (0.52) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL546849 0.78 MEN1 (0.54) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL7422695 0.77 TSHR (0.41) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL31307045 0.77
Butoxyethanol SCHEMBL8584938 0.77 TSHR (0.71) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL9640229 0.77 MEN1 (0.58) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL9639247 0.77 MEN1 (0.58) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL3876514 0.77 MEN1 (0.58) TSHRMAPK1MEN1KMT2ATHRB

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-5594006-A SUCH AS COLLEGENASE, STROMELYSIN; ANTICANCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-14 US disclosed
WO-1994021612-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-29 WO disclosed