SCHEMBL8714854

SCHEMBL8714854

CCOB(OCC)OC(c1ccccc1)(c1ccccc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.33
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
KCNA5 P22460 1/20 0.31
KCNN4 O15554 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
EDNRB P24530 2/20 0.30
EDNRA P25101 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL8715292 0.81 ALDH1A1 (0.31) LMNAMEN1KMT2A
SCHEMBL8714992 0.80 AOC3 (0.33) LMNACYP3A4CYP2C9CYP2C19EDNRB
SCHEMBL1059509 0.78 EDNRB (0.42) POLBLMNAKCNN4CYP1A2CYP3A4
SCHEMBL1059507 0.78 EDNRB (0.42) POLBLMNAKCNN4CYP1A2CYP3A4
SCHEMBL5272340 0.74 CYP2D6 (0.35) POLBKCNA5CYP1A2EDNRBEDNRA
SCHEMBL4530142 0.73 LMNA (0.37) POLBLMNAKCNA5KCNN4CYP1A2
SCHEMBL8718938 0.72
SCHEMBL20920142 0.71 LMNA (0.34) POLBLMNAKCNA5KCNN4CYP1A2
SCHEMBL1059487 0.71 EDNRB (0.40) POLBKCNN4EDNRBEDNRAKMT2A
SCHEMBL1059489 0.71 EDNRB (0.40) POLBKCNN4EDNRBEDNRAKMT2A

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