SCHEMBL27548664

SCHEMBL27548664

C=CC(=O)OC(CC)OP(=O)(O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 3/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
THRB P10828 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
THRA P10827 1/20 0.33

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
SCHEMBL28746111 0.82 POLB (0.40) POLBALDH1A1L3MBTL1THRB
SCHEMBL2024149 0.78 SMPD1 (0.41) TSHRALDH1A1THRB
SCHEMBL10623140 0.78 TSHR (0.36) TSHRALDH1A1THRB
Ammonia Solution, Strong SCHEMBL28245778 0.76 TSHR (0.35) TSHR
SCHEMBL4931446 0.76 TSHR (0.37) TSHRALDH1A1THRB
SCHEMBL218320 0.76 THRB (0.46) TSHRALDH1A1SMN1; SMN2THRBKDM4E
SCHEMBL11312466 0.76 TSHR (0.43) TSHRALOX15POLBALDH1A1PKM
SCHEMBL9650729 0.74 TSHR (0.45) TSHRPOLBALDH1A1SMN1; SMN2THRB
SCHEMBL28231247 0.74 TSHR (0.33) TSHR
SCHEMBL12471306 0.73 SLC1A3 (0.41) TSHRALDH1A1L3MBTL1THRBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110431156-A Solidification compound TOKUYAMA DENTAL CORP 2019-11-08 CN disclosed
CN-109890343-A curable composition 株式会社德山齿科 2019-06-14 CN disclosed
CN-1273809-A Binding compsns. KURARAY CO (JP) 2000-11-22 CN disclosed