SCHEMBL9408554

SCHEMBL9408554

CCOc1ccc(O)c(C(C)(C)C)c1.COc1ccc(O)cc1C(C)(C)C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.78
GAA P10253 2/20 0.78
LMNA P02545 3/20 0.53
ALOX15 P16050 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TYR P14679 2/20 0.53
NR1I2 O75469 1/20 0.53
CYP2C9 P11712 1/20 0.53
MIF P14174 1/20 0.53
HTT P42858 1/20 0.53
NFE2L2 Q16236 1/20 0.53
HPGD P15428 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAOB P27338 1/20 0.41
MEN1 O00255 2/20 0.41
ALOX12 P18054 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
TUBB4A P04350 1/20 0.41

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
SCHEMBL28110284 0.88 ALDH1A1 (1.00) ALDH1A1GAALMNAALOX15HSD17B10
Butylated Hydroxyanisole SCHEMBL29354314 0.88 ALDH1A1 (1.00) ALDH1A1GAALMNAALOX15HSD17B10
Butylated Hydroxyanisole SCHEMBL30330 0.88 ALDH1A1 (1.00) ALDH1A1GAALMNAALOX15HSD17B10
Potassium Ion SCHEMBL28085135 0.85 ALDH1A1 (0.94) ALDH1A1GAALMNAALOX15HSD17B10
SCHEMBL5083160 0.84 ALDH1A1 (0.56) ALDH1A1GAALMNAALOX15HSD17B10
SCHEMBL29361764 0.80 ALDH1A1 (0.73) ALDH1A1GAALMNAALOX15HSD17B10
SCHEMBL61547 0.80 ALDH1A1 (0.73) ALDH1A1GAALMNAALOX15HSD17B10
SCHEMBL6141988 0.80 ALDH1A1 (0.73) ALDH1A1GAALMNAALOX15HSD17B10
SCHEMBL18112353 0.79 ALDH1A1 (0.74) ALDH1A1GAALMNAALOX15HSD17B10
SCHEMBL5083146 0.78 ALDH1A1 (0.52) ALDH1A1GAALMNAALOX15HSD17B10

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-0607457-A1 VULCANIZING FLUORORUBBER COMPOSITION DAIKIN INDUSTRIES, LTD. (JP) 1994-07-27 EP claimed