SCHEMBL10636265

SCHEMBL10636265

CCOC(=O)C1(C)CCc2cc(O)ccc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.47
KMT2A Q03164 1/20 0.43
MGAM O43451 4/20 0.42
GAA P10253 4/20 0.42
SI P14410 4/20 0.42
MGAM2 Q2M2H8 4/20 0.42
PPARA Q07869 4/20 0.40
PPARG P37231 3/20 0.39
PPARD Q03181 1/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
HSD17B1 P14061 1/20 0.37
PTGS2 P35354 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37

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
SCHEMBL10506242 0.83 ALDH1A1 (0.45) KMT2AGAAPPARA
SCHEMBL8653315 0.81 AKT1 (0.50) AKT1MGAMGAASIMGAM2
SCHEMBL10632276 0.79 CYSLTR2 (0.43) KMT2AGAAPPARAPPARGPPARD
SCHEMBL10636272 0.78 AKT1 (0.58) AKT1KMT2AMGAMGAASI
SCHEMBL22325486 0.78 PPARA (0.43) GAAPPARAPPARGPPARD
SCHEMBL8948547 0.75 ALPG (0.47) KMT2AGAAPPARA
SCHEMBL6798457 0.75 SOD1 (0.44) MGAMGAASIMGAM2PPARA
SCHEMBL6798455 0.75 SOD1 (0.44) MGAMGAASIMGAM2PPARA
SCHEMBL6799093 0.75 SOD1 (0.44) MGAMGAASIMGAM2PPARA
SCHEMBL19469539 0.74 GAA (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4788214-A ANTIALLERGENS HOFFMAN-LA ROCHE INC. (US) 1988-11-29 US disclosed
US-4785017-A ANTIALLERGENS HOFFMANN-LA ROCHE INC. (US) 1988-11-15 US disclosed