SCHEMBL10706197

SCHEMBL10706197

CC1(OC(=O)O)CCc2cc(O)ccc2O1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.47
RXRA P19793 1/20 0.41
MAPT P10636 1/20 0.40
MGAM O43451 5/20 0.40
GAA P10253 5/20 0.40
SI P14410 5/20 0.40
MGAM2 Q2M2H8 5/20 0.40
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
PTPN1 P18031 1/20 0.39
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ENTPD5 O75356 2/20 0.37
PTGS2 P35354 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
CETP P11597 1/20 0.36
KMT2A Q03164 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
SCHEMBL9749407 0.82 AKT1 (0.51) AKT1RXRAMAPTMGAMGAA
SCHEMBL8653315 0.78 AKT1 (0.50) AKT1RXRAMGAMGAASI
SCHEMBL30513267 0.76 AKT1 (0.56) AKT1MAPTMGAMGAASI
SCHEMBL3184205 0.76 AKT1 (0.56) AKT1MAPTMGAMGAASI
SCHEMBL4194290 0.75 AKT1 (0.60) AKT1RXRAMAPTMGAMGAA
SCHEMBL11705856 0.74 AKT1 (0.55) AKT1RXRAMAPTMGAMGAA
SCHEMBL5773379 0.73 AKT1 (0.64) AKT1RXRAMGAMGAASI
SCHEMBL11405269 0.72 AKT1 (0.44) AKT1RXRAMAPTMGAMGAA
SCHEMBL10708009 0.72 PPARG (0.50) AKT1ESR1ESR2
SCHEMBL10636265 0.72 AKT1 (0.47) AKT1MGAMGAASIMGAM2

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
EP-0129906-B1 PHENOXYALKOXY-3,4-DIHYDRO-2H-1-BENZOPYRAN DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-06-08 EP disclosed