SCHEMBL8776491

SCHEMBL8776491

CCCC(CC)C(CC)(CC)C(=O)OCC.[2Zr]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.37
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
PKM P14618 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTT P42858 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
POLB P06746 1/20 0.30
ALOX15 P16050 1/20 0.30
MGAM O43451 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
SCHEMBL2146094 0.98 MMP8 (0.38) MMP8CYP4F2CYP4A11PKMMEN1
SCHEMBL7517904 0.86 MAPT (0.40) MMP8CYP4F2CYP4A11PKMMEN1
SCHEMBL12504254 0.81 CHRM1 (0.31)
SCHEMBL20451216 0.81 ALDH1A1 (0.40) ALDH1A1ATML3MBTL1LMNACA1
SCHEMBL22284808 0.81 ALDH1A1 (0.33) ALDH1A1
SCHEMBL574762 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL29037360 0.80 CYP4F2 (0.38) MMP8CYP4F2CYP4A11PKMMEN1
SCHEMBL408357 0.79 LMNA (0.42) MEN1KMT2AKDM4ELMNA
SCHEMBL426668 0.78 LMNA (0.33) LMNA
SCHEMBL29287145 0.78 FAAH (0.47) MEN1KMT2AMAPTATMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0578541-B1 Process for the preparation of light alpha-olefines by oligomerisation of ethylene INST FRANCAIS DU PETROLE (FR) 1997-12-03 EP claimed
US-5496783-A CATALYSIS WITH MIXTURE OF ZIRCONIUM COMPOUND, ACETAL OR KETAL, AND ORGANOALUMINUM BROMIDE OR CHLORIDE INSTITUT FRANCAIS DU PETROLE (FR) 1996-03-05 US claimed
US-5345023-A Zirconium coordination catalysts with acetals and ketals INSTITUT FRANCAIS DU PETROLE (FR) 1994-09-06 US claimed