SCHEMBL8714992

SCHEMBL8714992

CCOB(OCC)OC(c1cccc(C)c1)(c1cccc(C)c1)C(c1cccc(C)c1)c1cccc(C)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.33
LMNA P02545 1/20 0.32
KIF11 P52732 5/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KCNH2 Q12809 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
CYP19A1 P11511 1/20 0.31
TACR1 P25103 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
CASR P41180 1/20 0.30
ACP3 P15309 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
SCHEMBL8718095 0.83 AOC3 (0.35) AOC3EDNRBEDNRACYP19A1TACR1
SCHEMBL8714854 0.80 MMP8 (0.33) LMNACYP3A4CYP2C9CYP2C19EDNRB
SCHEMBL8715292 0.69 ALDH1A1 (0.31) LMNA
SCHEMBL8718938 0.69
SCHEMBL8714996 0.65 AOC3 (0.35) AOC3LMNAKIF11CYP3A4CYP2D6
SCHEMBL7926083 0.62 AOC3 (0.44) AOC3CYP19A1ACP3
SCHEMBL14163872 0.61 ACHE (0.41) LMNAKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL8443853 0.61 ACHE (0.50) LMNAKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL13958492 0.61 ACHE (0.50) AOC3LMNACYP3A4CYP2D6CYP2C9
M-Xylene SCHEMBL9818031 0.60 ACHE (0.63) LMNACYP3A4CYP2D6CYP2C9CYP2C19

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