SCHEMBL8522728

SCHEMBL8522728

CCc1ccc(C(CC)(c2ccccc2)c2ccccc2)c(CC)c1CC

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.35
KCNN4 O15554 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
TP53 P04637 1/20 0.30
KCNA5 P22460 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
SCHEMBL9817129 0.79 ESR1 (0.30) KCNN4
SCHEMBL10860534 0.74 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL1971090 0.72 KCNN4 (0.48) KIF11KCNN4TP53
SCHEMBL2322136 0.71 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL1965065 0.70 GABRA1 (0.38) GABRA1GABRB2
SCHEMBL166573 0.69 GABRA1 (0.41) GABRA1GABRB2TP53
SCHEMBL29619533 0.69 GABRA1 (0.41) GABRA1GABRB2TP53
Hydrochloric Acid SCHEMBL28418842 0.69 GABRA1 (0.30) GABRA1GABRB2
SCHEMBL8051827 0.69 GABRA1 (0.39) KIF11KCNN4GABRA1GABRB2CYP2C19
SCHEMBL2260217 0.69 KIF11 (0.38) KIF11KCNN4GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696265-B1 OLEFIN ISOMERISATION METHOD INST FRANCAIS DU PETROLE (FR) 1999-05-12 EP disclosed
EP-0679622-B1 Catalytic process for the dehydroisomerisation of n-paraffins INST FRANCAIS DU PETROLE (FR) 1998-10-28 EP disclosed
EP-0664278-B1 Process for the isomerisation of olefins INST FRANCAIS DU PETROLE (FR) 1997-08-06 EP disclosed
EP-0588680-B1 Process for the isomerisation of olefins INST FRANCAIS DU PETROLE (FR) 1996-11-13 EP disclosed
EP-0696265-A1 OLEFIN ISOMERISATION METHOD INSTITUT FRANCAIS DU PETROLE (FR) 1996-02-14 EP disclosed
EP-0679622-A1 Catalytic process for the dehydroisomerisation of n-paraffins Institut Français du Pétrole (FR) 1995-11-02 EP disclosed
WO-1995023777-A1 OLEFIN ISOMERISATION METHOD INSTITUT FRANÇAIS DU PETROLE (FR) 1995-09-08 WO disclosed
EP-0664278-A1 Process for the isomerisation of olefins INSTITUT FRANCAIS DU PETROLE (FR) 1995-07-26 EP disclosed
EP-0588680-A1 Process for the isomerisation of olefins INSTITUT FRANCAIS DU PETROLE (FR) 1994-03-23 EP disclosed