SCHEMBL11213634

SCHEMBL11213634

CCOP(=O)(CC1OCCO1)OCC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
PPARD Q03181 2/20 0.43
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30

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
SCHEMBL11221537 0.92 TSHR (0.41) TSHRPPARDTP53TDP1MAPT
SCHEMBL1592913 0.80 PPARD (0.50) TSHRPPARDTP53TDP1MAPT
SCHEMBL4990894 0.77 TSHR (0.46) TSHRPPARDTP53TDP1MEN1
SCHEMBL9181802 0.76 ENPP2 (0.40) TSHRPPARD
SCHEMBL7892388 0.72 TSHR (0.38) TSHRPPARD
SCHEMBL7899566 0.72 TSHR (0.38) TSHRPPARD
SCHEMBL7892169 0.72 TSHR (0.38) TSHRPPARD
SCHEMBL7899920 0.72 TSHR (0.38) TSHRPPARD
SCHEMBL27496366 0.72 TSHR (0.41) TSHRPPARDTP53TDP1
SCHEMBL21925055 0.71 TSHR (0.50) TSHRPPARDTP53TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4325727-A Plant growth regulant phosphonoacetals YEDA RESEARCH AND DEVELOPMENT COMPANY, LTD. (IL) 1982-04-20 US disclosed