SCHEMBL6915874

SCHEMBL6915874

CCOP(=O)(CC(=O)Cc1ccccc1)OCC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
MAPT P10636 1/20 0.48
GAA P10253 1/20 0.47
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
AKR1B1 P15121 1/20 0.42
PAM P19021 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CETP P11597 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NR1I2 O75469 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL4990294 0.87 POLB (0.43) MAPK1MAPTGAAPOLBTSHR
SCHEMBL2208952 0.85 CETP (0.48) MAPK1GAAPOLBTSHRL3MBTL1
SCHEMBL758293 0.83 TSHR (0.47) MAPK1MAPTPOLBTSHRL3MBTL1
SCHEMBL4992838 0.81 SLC7A5 (0.36) MAPK1MAPTALDH1A1CETPSMN1; SMN2
SCHEMBL5849992 0.81 ALDH1A1 (0.53) MAPK1MAPTPOLBTSHRL3MBTL1
SCHEMBL4992898 0.80 MAPT (0.38) MAPK1MAPT
SCHEMBL11307576 0.79 TSHR (0.51) MAPK1MAPTPOLBTSHRALDH1A1
SCHEMBL16601102 0.78 ALOX15 (0.49) MAPK1MAPTPOLBTSHRSMN1; SMN2
SCHEMBL13142812 0.77 NR1I2 (0.54) MAPK1MAPTGAAPOLBTSHR
Hydrogen Peroxide SCHEMBL8609887 0.77 NPY5R (0.49) MAPK1MAPTPOLBTSHRNPSR1

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
WO-2004026245-A2 SUBSTITUTED PHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY ILEX ONCOLOGY RESEARCH, SARL (CH) 2004-04-01 WO disclosed
EP-0638084-A1 SUBSTITUTED PHOSPHONATES, THE PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1995-02-15 EP disclosed
WO-1994019358-A1 SUBSTITUTED PHOSPHONATES, THE PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1994-09-01 WO disclosed