SCHEMBL28629317

SCHEMBL28629317

CC(O)C(CO)P(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
CETP P11597 3/20 0.43
MAPK1 P28482 1/20 0.42
FOLH1 Q04609 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 4/20 0.41
ELANE P08246 1/20 0.39
NPC1 O15118 1/20 0.39
TRPA1 O75762 1/20 0.39
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL10832549 0.82 TSHR (0.58) TSHRALDH1A1KDM4ECETPMAPK1
SCHEMBL13711507 0.78 TSHR (0.57) TSHRALDH1A1KDM4ECETPMAPK1
SCHEMBL10832425 0.78 TSHR (0.62) TSHRALDH1A1KDM4ECETPMAPK1
SCHEMBL23732772 0.76 TSHR (0.60) TSHRALDH1A1KDM4ECETPMAPK1
SCHEMBL11303293 0.76 TSHR (0.55) TSHRALDH1A1KDM4ECETPMAPK1
SCHEMBL28891757 0.75 TSHR (0.50) TSHRALDH1A1KDM4ECETPMAPK1
SCHEMBL13892565 0.73 TSHR (0.56) TSHRALDH1A1KDM4ECETPMAPK1
SCHEMBL23084730 0.73 TSHR (0.51) TSHRALDH1A1KDM4ECETPMAPK1
SCHEMBL23066887 0.73 TSHR (0.51) TSHRALDH1A1KDM4ECETPMAPK1
SCHEMBL31511492 0.73 TSHR (0.51) TSHRALDH1A1KDM4ECETPMAPK1

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
CN-106661065-B Crystal of cyclic phosphonic acid sodium salt and method for producing same 大塚化学株式会社 2021-09-24 CN disclosed