SCHEMBL7055459

SCHEMBL7055459

C=CC(=O)NP(=O)(OCC)OCC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.38
TSHR P16473 5/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
TP53 P04637 1/20 0.34
PPARD Q03181 2/20 0.34
TGM2 P21980 1/20 0.34
ACACB O00763 1/20 0.34
GSTO1 P78417 1/20 0.34

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
SCHEMBL27593947 0.91 CA12 (0.36) TDP1TSHRALDH1A1MAPK1NPSR1
SCHEMBL21801929 0.78 ZDHHC20 (0.35) TDP1TSHRALDH1A1MAPK1ZDHHC20
SCHEMBL184419 0.75 NPSR1 (0.37) TDP1TSHRALDH1A1NPSR1CA12
SCHEMBL491449 0.75 TSHR (0.43) TDP1TSHRALDH1A1MAPK1CA12
SCHEMBL5161553 0.73 TSHR (0.42) TDP1TSHRALDH1A1MAPK1CA12
SCHEMBL317090 0.73 TSHR (0.33) TDP1TSHRALDH1A1MAPK1CA12
SCHEMBL9249596 0.73 NPSR1 (0.47) TDP1TSHRALDH1A1NPSR1CA12
SCHEMBL11024087 0.73 TSHR (0.43) TDP1TSHRALDH1A1NPSR1CA12
SCHEMBL3343056 0.72 ZDHHC20 (0.47) TDP1TSHRALDH1A1MAPK1CA12
Triethyl Phosphate SCHEMBL27773886 0.71 TSHR (0.54) TDP1TSHRALDH1A1CA12CA1

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
WO-2003029310-A1 METHOD AND DEVICE FOR PRODUCING A HIGHLY MOLECULAR POLY(METH)ACRYLATE RÖHM GBMH & CO.KG (DE) 2003-04-10 WO disclosed