SCHEMBL7948441

SCHEMBL7948441

Cc1cc(C2(c3ccc(-c4ccc(O)cc4C(C)(C)C)c(C)c3)CCCCC2)ccc1-c1ccc(O)cc1C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.54
ESR1 P03372 8/20 0.54
ACHE P22303 1/20 0.46
LMNA P02545 4/20 0.41
ALOX12 P18054 3/20 0.41
ALDH1A1 P00352 3/20 0.39
NR1I2 O75469 1/20 0.39
CYP2C9 P11712 1/20 0.39
MIF P14174 1/20 0.39
TYR P14679 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PPARA Q07869 1/20 0.38
ADORA3 P0DMS8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL7948439 0.75 PDK2 (0.38) ESR2ESR1ACHELMNAALDH1A1
SCHEMBL9563061 0.74 ESR1 (0.61) ESR2ESR1ACHELMNAALOX12
SCHEMBL30629387 0.73 ALDH1A1 (0.67) ESR2ESR1LMNAALDH1A1NR1I2
SCHEMBL7858673 0.73 ALDH1A1 (0.67) ESR2ESR1LMNAALDH1A1NR1I2
SCHEMBL296363 0.73 ESR1 (0.62) ESR2ESR1ACHELMNAALOX12
SCHEMBL29492953 0.73 ESR1 (0.62) ESR2ESR1ACHELMNAALOX12
SCHEMBL29459259 0.73 ESR1 (0.62) ESR2ESR1ACHELMNAALOX12
SCHEMBL7946603 0.73 ESR1 (0.48) ESR2ESR1LMNAALDH1A1NR1I2
SCHEMBL29564839 0.73 ESR1 (0.62) ESR2ESR1ACHELMNAALOX12
SCHEMBL3303661 0.73 ESR1 (0.62) ESR2ESR1ACHELMNAALOX12

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
US-6258498-B1 POLYCARBONATE PROTECTIVE COATING CANON KABUSHIKI KAISHA (JP) 2001-07-10 US disclosed