SCHEMBL9749407

SCHEMBL9749407

COC1(C)CCc2cc(O)ccc2O1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.51
MAPT P10636 1/20 0.41
MGAM O43451 4/20 0.40
GAA P10253 4/20 0.40
SI P14410 4/20 0.40
MGAM2 Q2M2H8 4/20 0.40
ESR1 P03372 4/20 0.40
ESR2 Q92731 4/20 0.40
ENTPD5 O75356 2/20 0.40
PTGS2 P35354 1/20 0.39
CETP P11597 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PTPN1 P18031 1/20 0.38
COXFA4 O00483 1/20 0.37
BCHE P06276 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
RXRA P19793 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
SCHEMBL9748973 0.88 ALDH1A1 (0.41) AKT1MAPTESR1ESR2KDM4E
SCHEMBL10434159 0.83 KDM4E (0.37) AKT1MAPTMGAMGAASI
SCHEMBL10706197 0.82 AKT1 (0.47) AKT1MAPTMGAMGAASI
SCHEMBL3184205 0.80 AKT1 (0.56) AKT1MAPTMGAMGAASI
SCHEMBL30513267 0.80 AKT1 (0.56) AKT1MAPTMGAMGAASI
SCHEMBL11705856 0.79 AKT1 (0.55) AKT1MAPTMGAMGAASI
SCHEMBL10527939 0.77 SIGMAR1 (0.41) ALDH1A1PTPN1
SCHEMBL7787622 0.76 AKT1 (0.51) AKT1MAPTMGAMGAASI
SCHEMBL9749678 0.75 ALDH1A1 (0.44) AKT1MAPTGAAALDH1A1
SCHEMBL11708131 0.74 MAOB (0.50) ALDH1A1

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-0230475-B1 NOVEL UREA DERIVATIVES, PROCESSES FOR PRODUCTION THEREOF AND HERBICIDE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
US-4838924-A NONPHYTOTOXIC MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 US disclosed
US-4026907-A INTERMEDIATES FOR ALPHA-TOCOPHEROL HOFFMANN-LA ROCHE INC. (US) 1977-05-31 US disclosed
US-4018799-A INTERMEDIATES FOR TOCOPHEROL HOFFMANN-LA ROCHE INC. (US) 1977-04-19 US disclosed
US-4003919-A INTERMEDIATES FOR ALPHA-TOCOPHEROL HOFFMANN-LA ROCHE INC. (US) 1977-01-18 US disclosed
US-3947473-A (6-HYDROXY-CHROMAN-2-YL) CARBOXYLIC ACID DERIVATIVES HOFFMAN-LA ROCHE INC. (US) 1976-03-30 US disclosed