SCHEMBL8530445

SCHEMBL8530445

CCOC(=O)C(CC(C)C)C(COS(=O)(=O)c1ccc(C)cc1)[PH2]=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
GAA P10253 1/20 0.39
MME P08473 1/20 0.37
LMNA P02545 4/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
STAT3 P40763 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MDM2 Q00987 1/20 0.34
AIMP2 Q13155 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
SCHEMBL7052663 0.82 TAS1R3 (0.32) KMT2AGAALMNATSHRL3MBTL1
SCHEMBL9067912 0.81 ALDH1A1 (0.41) GAALMNATSHRALDH1A1MAPT
SCHEMBL8530330 0.80
SCHEMBL7238348 0.74 KMT2A (0.37) KMT2AGAALMNAKDM4ETSHR
SCHEMBL29564074 0.74 KMT2A (0.42) KMT2AGAALMNAKDM4ETSHR
SCHEMBL13096088 0.73 CA1 (0.41) KMT2AGAAALDH1A1STAT3CA2
SCHEMBL4383361 0.72 CA2 (0.43) KMT2AGAALMNATSHRALDH1A1
SCHEMBL4383356 0.72 CA2 (0.43) KMT2AGAALMNATSHRALDH1A1
SCHEMBL4295792 0.72 CA2 (0.43) KMT2AGAALMNAKDM4ETSHR
SCHEMBL20457292 0.72 PSMD10 (0.39) KMT2AGAALMNAKDM4EALDH1A1

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
US-5773428-A BONE DISORDERS SYNTEX (U.S.A.) INC. (US) 1998-06-30 US disclosed