SCHEMBL9006072

SCHEMBL9006072

CC(C)C1CCC(C)(c2ccccc2O)CC1c1ccc(O)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.36
ESR1 P03372 7/20 0.33
ACHE P22303 1/20 0.32
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNQ4 P56696 1/20 0.31
KCNQ5 Q9NR82 1/20 0.31
MAPT P10636 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL4948285 0.84 MEN1 (0.37) MAPT
SCHEMBL1005980 0.84 ESR2 (0.40) ESR2ESR1ACHE
SCHEMBL16277193 0.74 STS (0.32) ESR2
SCHEMBL14192786 0.74 STS (0.32) ESR2
SCHEMBL5244034 0.71 HSD11B1 (0.41)
SCHEMBL2911019 0.67 ESR2 (0.36) ESR2ESR1
SCHEMBL9792237 0.65 TRPA1 (0.34) KCNQ3KCNQ2KCNQ4KCNQ5MAPT
SCHEMBL21724095 0.65 SLC6A3 (0.41) MAPT
SCHEMBL7113263 0.65 SLC6A3 (0.41) MAPT
SCHEMBL725435 0.65 ALDH1A1 (0.43) MAPT

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-0736561-A2 Dihydroxy compound mixtures and polymers thereof GENERAL ELECTRIC COMPANY (US) 1996-10-09 EP disclosed