SCHEMBL8094683

SCHEMBL8094683

CCOP(=O)(CCOc1ccc(C(=O)O)cc1)OCC

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ PLA2G4B P0C869 7/20 0.55
▸ PKM P14618 1/20 0.54
▸ MAPK1 P28482 2/20 0.53
▸ RARB P10826 4/20 0.52
▸ HTT P42858 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ PLA2G4A P47712 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50

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
SCHEMBL8102366 0.93 TP53 (0.59) TSHRTP53PLA2G4BPKMMAPK1
SCHEMBL17652958 0.82 L3MBTL1 (0.47) TSHRTP53PLA2G4BL3MBTL1
SCHEMBL11296001 0.80 MEN1 (0.47) PKMMAPK1ALDH1A1L3MBTL1
SCHEMBL13653529 0.79 L3MBTL1 (0.66) TSHRTP53PLA2G4BHTTALDH1A1
SCHEMBL8668415 0.78 ALDH1A1 (0.50) TP53PLA2G4BRARBALDH1A1
SCHEMBL175191 0.77 TP53 (0.77) TSHRTP53PLA2G4BPKMMAPK1
SCHEMBL10798086 0.77 TP53 (0.89) TSHRTP53PLA2G4BPKMMAPK1
SCHEMBL736876 0.77 TP53 (0.89) TSHRTP53PLA2G4BPKMMAPK1
SCHEMBL6775355 0.76 PSEN1 (0.42) TSHRPKM
SCHEMBL177390 0.76 PLA2G4B (0.82) TSHRTP53PLA2G4BPKMMAPK1

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
EP-0604657-B1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2000-01-12 — — EP disclosed
US-5376665-A Antidiabetic agent, hypoglycemic agent OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1994-12-27 — — US disclosed
EP-0604657-A1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1994-07-06 — — EP disclosed
Send feedback