SCHEMBL10616645

SCHEMBL10616645

CCOc1ccc(C=O)cc1C=O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.62
FDPS P14324 1/20 0.54
TACR2 P21452 1/20 0.54
HPGD P15428 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPT P10636 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
LMNA P02545 2/20 0.51
KDM4E B2RXH2 2/20 0.49
TSHR P16473 1/20 0.48
AOX1 Q06278 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.44
DHFR P00374 1/20 0.43

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
SCHEMBL28938242 0.86 FDPS (0.56) ALDH1A1FDPSHPGDTDP1L3MBTL1
SCHEMBL4363481 0.85 ALDH1A1 (0.67) ALDH1A1FDPSTACR2HPGDTDP1
SCHEMBL30159697 0.85 ALDH1A1 (0.73) ALDH1A1FDPSTACR2HPGDTDP1
SCHEMBL493684 0.85 ALDH1A1 (0.73) ALDH1A1FDPSTACR2HPGDTDP1
SCHEMBL29953871 0.81 LMNA (0.51) ALDH1A1HPGDTDP1L3MBTL1MAPT
SCHEMBL15630177 0.81 LMNA (0.51) ALDH1A1HPGDTDP1L3MBTL1MAPT
SCHEMBL3721435 0.81 ALDH1A1 (0.62) ALDH1A1FDPSTACR2HPGDTDP1
SCHEMBL271557 0.81 LMNA (0.51) ALDH1A1MAPTLMNAKDM4ETSHR
SCHEMBL25327365 0.81 FDPS (0.50) ALDH1A1FDPSHPGDTDP1L3MBTL1
SCHEMBL11212209 0.81 ALDH1A1 (0.64) ALDH1A1FDPSTACR2HPGDTDP1

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
JP-63264409-A None JP disclosed
JP-S63264409-A CARCINOSTATIC AGENT RIKAGAKU KENKYUSHO 1988-11-01 JP disclosed