SCHEMBL9340608

SCHEMBL9340608

CCOC(OCC)(OCCCCCC(C)C)C(OCC)(OCC)Oc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.34
KCNA3 P22001 1/20 0.33
LTA4H P09960 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
MMP9 P14780 1/20 0.32
PPIA P62937 1/20 0.30
HTR1A P08908 1/20 0.30
HTR1D P28221 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
SCHEMBL8370228 0.85 LTA4H (0.46) KCNA3LTA4HHTR1A
SCHEMBL3274493 0.85 LTA4H (0.46) KCNA3LTA4HHTR1A
SCHEMBL28300358 0.75 TDP1 (0.34) RARBTDP1HPGDMMP9PPIA
SCHEMBL12746095 0.73 KCNA3 (0.64) RARBTDP1HPGDKCNA3LTA4H
SCHEMBL11068531 0.73 KCNA3 (0.64) RARBTDP1HPGDKCNA3LTA4H
SCHEMBL358609 0.73 KCNA3 (0.64) RARBTDP1HPGDKCNA3LTA4H
SCHEMBL9794767 0.73 GGPS1 (0.41) LTA4H
SCHEMBL29394668 0.72 KCNA3 (0.61) RARBTDP1HPGDKCNA3LTA4H
SCHEMBL11580701 0.71 KCNA3 (0.67) RARBTDP1HPGDKCNA3LTA4H
Ethylene SCHEMBL28162451 0.71 KCNA3 (0.59) RARBTDP1HPGDKCNA3LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0322235-B1 Dithiophosphates EXXON CHEMICAL PATENTS INC (US) 1994-06-22 EP disclosed
US-5013465-A Reaction product of basic zinc, copper or molybdenum compound with dithiophosphate from phosphorus pentasulfide and alcohol mixture; lubricating oil; concentrate EXXON CHEMICAL PATENTS, INC. (US) 1991-05-07 US disclosed
EP-0322235-A2 Dithiophosphates EXXON CHEMICAL PATENTS INC. (US) 1989-06-28 EP disclosed
US-4153562-A REACTING PHOSPHORODITHIOATE OF ALKYLPHENOL SULFIDE WITH UNSATURATED COMPOUND EXXON RESEARCH & ENGINEERING CO. (US) 1979-05-08 US disclosed