SCHEMBL7560809

SCHEMBL7560809

C=CCc1cc(O)c(CC=C)c(CC=C)c1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PTPN1 P18031 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 2/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
PTGS2 P35354 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL7562101 0.83 ALDH1A1 (0.45) LMNAHPGDALDH1A1L3MBTL1MAPT
SCHEMBL790696 0.79 GABRA1 (0.41) HPGDALDH1A1MAPTGAAKDM4E
SCHEMBL5879447 0.77 BCHE (0.47) HPGDALDH1A1L3MBTL1MAPTGAA
SCHEMBL7561778 0.77 CYP2C19 (0.41) LMNAALDH1A1L3MBTL1MAPTTDP1
SCHEMBL19685553 0.76 LMNA (0.39) LMNAHPGDALDH1A1L3MBTL1MAPT
SCHEMBL3919862 0.75 LMNA (0.51) LMNAALDH1A1MAPTGAAKDM4E
SCHEMBL4012665 0.75 CYP1A2 (0.50) LMNAALDH1A1L3MBTL1MAPTGAA
SCHEMBL4238441 0.75 CYP2C19 (0.42) LMNAL3MBTL1MAPTTDP1PTPN1
SCHEMBL5808907 0.74 ALDH1A1 (0.42) LMNAHPGDALDH1A1L3MBTL1MAPT
SCHEMBL10689679 0.74 HTR1A (0.48) LMNAHPGDALDH1A1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891974-B1 Process for producing chromans KURARAY CO (JP) 2002-04-17 EP disclosed
US-6133471-A Process for producing chromans KURARAY CO., LTD. (JP) 2000-10-17 US disclosed
US-6130341-A Process for producing chromans KURARAY CO., LTD. (JP) 2000-10-10 US disclosed
EP-0891974-A1 Process for producing chromans KURARAY CO., LTD. (JP) 1999-01-20 EP disclosed