SCHEMBL28099149

SCHEMBL28099149

C=CC(=O)NC(CC)CO[PH](=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
ACACB O00763 2/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP8 P22894 1/20 0.30
CA9 Q16790 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
SCHEMBL28099147 0.89 TSHR (0.41) TSHRTAS1R3TAS1R1SMN1; SMN2ACACB
Phosphonic Acid SCHEMBL27593948 0.83 TSHR (0.48) TSHRTAS1R3TAS1R1SMN1; SMN2ACACB
SCHEMBL7594351 0.80 TAS1R3 (0.51) TSHRTAS1R3TAS1R1SMN1; SMN2ACACB
SCHEMBL5170699 0.78 TSHR (0.56) TSHRTAS1R3TAS1R1SMN1; SMN2ACACB
SCHEMBL28647039 0.77 CA12 (0.41) TSHRTAS1R3TAS1R1CA12CA1
SCHEMBL12607570 0.76 TSHR (0.39) TSHRTAS1R3TAS1R1SMN1; SMN2ACACB
SCHEMBL25250018 0.75 TSHR (0.52) TSHRTAS1R3TAS1R1SMN1; SMN2ACACB
SCHEMBL2938364 0.73 TSHR (0.50) TSHRTAS1R3TAS1R1SMN1; SMN2ACACB
SCHEMBL21909974 0.73 TSHR (0.50) TSHRTAS1R3TAS1R1SMN1; SMN2ACACB
SCHEMBL22080679 0.73 TSHR (0.47) TSHRTAS1R3TAS1R1SMN1; SMN2ACACB

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
CN-105960420-A Chain-end thiol-functionalized phosphorus-accumulating polymers and process for their preparation 米其林集团总公司 2016-09-21 CN disclosed
CN-105940028-A Method for producing diene polymers bearing phosphorus functional groups, products resulting from said method and composition containing same 米其林集团总公司 2016-09-14 CN disclosed