SCHEMBL28891757

SCHEMBL28891757

COC(C)C(O)P(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.43
CETP P11597 3/20 0.43
MAPK1 P28482 1/20 0.42
FOLH1 Q04609 1/20 0.42
RCE1 Q9Y256 1/20 0.42
NPC1 O15118 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 2/20 0.41
HTT P42858 2/20 0.39
ELANE P08246 1/20 0.39
LAP3 P28838 1/20 0.39

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
SCHEMBL10832425 0.85 TSHR (0.62) TSHRKDM4EALDH1A1KMT2ACETP
SCHEMBL10832549 0.82 TSHR (0.58) TSHRKDM4EALDH1A1CETPMAPK1
SCHEMBL13711507 0.81 TSHR (0.57) TSHRKDM4EALDH1A1KMT2ACETP
SCHEMBL23732772 0.76 TSHR (0.60) TSHRKDM4EALDH1A1CETPMAPK1
SCHEMBL18307754 0.76 POLB (0.51) TSHRKDM4EALDH1A1KMT2ACETP
SCHEMBL11303293 0.76 TSHR (0.55) TSHRKDM4EALDH1A1KMT2ACETP
SCHEMBL11302597 0.75 ELANE (0.51) TSHRALDH1A1CETPFOLH1NPC1
SCHEMBL28629317 0.75 TSHR (0.50) TSHRKDM4EALDH1A1CETPMAPK1
SCHEMBL13892565 0.73 TSHR (0.56) TSHRKDM4EALDH1A1CETPMAPK1
SCHEMBL31480669 0.73 TSHR (0.51) TSHRKDM4EALDH1A1CETPMAPK1

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-115232168-A Preparation method of fosfomycin methoxyl ring-opening impurity 深圳鼎邦生物科技有限公司 2022-10-25 CN disclosed