SCHEMBL8718549

SCHEMBL8718549

CCCCOB(OCCCC)OC(c1cccc(C)c1)(c1cccc(C)c1)C(CC)(c1cccc(C)c1)c1cccc(C)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KIF11 P52732 1/20 0.33
KCNH2 Q12809 1/20 0.33
LMNA P02545 1/20 0.31

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
SCHEMBL8719828 0.86 KCNN4 (0.30)
SCHEMBL8718985 0.82 LTA4H (0.36) CYP2C9CYP2C19
SCHEMBL8714757 0.81
SCHEMBL8718928 0.76
SCHEMBL8717893 0.75 TSHR (0.33)
SCHEMBL8715254 0.71 LTA4H (0.30)
SCHEMBL8720702 0.68 L3MBTL1 (0.31)
SCHEMBL14983436 0.68 PCSK9 (0.41)
SCHEMBL27510277 0.63 KIF11 (0.39) CYP3A4CYP2D6CYP2C9CYP2C19KIF11
SCHEMBL8443853 0.63 ACHE (0.50) CYP3A4CYP2D6CYP2C9CYP2C19KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5744678-A NICKEL COMPOUND, ORGANOPHOSPHORUS COMPOUND, ORGANOALUMINUM COMPOUND, CARBON-HALOGEN COMPOUNDS; CATALYST SELECTIVITY NIPPON OIL CO., LTD. (JP) 1998-04-28 US disclosed
EP-0758563-A1 OLEFIN OLIGOMERIZATION CATALYST AND PROCESS FOR THE PREPARATION OF OLEFIN OLIGOMER USING IT NIPPON OIL COMPANY, LTD. (JP) 1997-02-19 EP disclosed