SCHEMBL1129322

SCHEMBL1129322

C=C1CC[C@@H]1C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
RECQL P46063 1/20 0.44
MAPT P10636 5/20 0.44
HPGD P15428 1/20 0.44
TLR4 O00206 1/20 0.40
PPM1B O75688 1/20 0.39
PTPN1 P18031 1/20 0.39
PPP1CC P36873 1/20 0.39
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL29263995 1.00 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL20104022 0.87 TLR4 (0.43) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL12441829 0.87 TLR4 (0.43) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL14228339 0.82
SCHEMBL1134463 0.78 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL28641852 0.78
SCHEMBL1027514 0.77 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL1027513 0.77 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL1027512 0.77 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL1027541 0.74 PPM1B (0.41) ALDH1A1GAAMAPTPPM1BPTPN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283020-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
EP-2178563-A2 COMBINATION ANTI-CANCER THERAPY COMPRISING AN INHIBITOR OF BOTH MTORC1 AND MTORC2 OSI Pharmaceuticals, Inc. (US) 2010-04-28 EP disclosed
WO-2009143051-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed
WO-2009008992-A2 COMBINATION ANTI-CANCER THERAPY COMPRISING AN INHIBITOR OF BOTH MTORC1 AND MT0RC2 OSI PHARMACEUTICALS INC. (US) 2009-01-15 WO disclosed
EP-1951724-A2 FUSED BICYCLIC mTOR INHIBITORS OSI Pharmaceuticals, Inc. (US) 2008-08-06 EP disclosed
WO-2007061737-A2 FUSED BICYCLIC mTOR INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-05-31 WO disclosed