SCHEMBL8530713

SCHEMBL8530713

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 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 5/20 0.36
STAT3 P40763 1/20 0.36
CA2 P00918 3/20 0.35
CA9 Q16790 2/20 0.35
CA1 P00915 2/20 0.35
CA12 O43570 1/20 0.35
HSD17B10 Q99714 2/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MDM2 Q00987 1/20 0.34
CA7 P43166 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
SCHEMBL9067917 0.81 ALDH1A1 (0.41) KMT2AGAALMNATSHRALDH1A1
SCHEMBL8530333 0.80 HSD17B10 (0.32) HSD17B10
SCHEMBL7238348 0.76 KMT2A (0.37) KMT2AGAALMNAKDM4ETSHR
SCHEMBL7052659 0.74 HSD17B10 (0.41) KMT2AGAAMMELMNAKDM4E
SCHEMBL8530708 0.73 ALDH1A1 (0.37) KMT2AGAALMNAALDH1A1STAT3
SCHEMBL7238354 0.73 ALDH1A1 (0.37) KMT2AGAALMNAKDM4ETSHR
SCHEMBL9067915 0.72 LMNA (0.39) KMT2AGAALMNATSHRALDH1A1
SCHEMBL8528855 0.71 HSD17B10 (0.35) KMT2AMMELMNAALDH1A1HSD17B10
SCHEMBL3483299 0.70 STAT3 (0.42) KMT2AALDH1A1STAT3CA2CA9
SCHEMBL8530445 0.70 KMT2A (0.39) KMT2AGAAMMELMNAKDM4E

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
US-5773428-A BONE DISORDERS SYNTEX (U.S.A.) INC. (US) 1998-06-30 US disclosed
EP-0807114-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-11-19 EP disclosed